Results for:
PubChem ID: 12352

Hexanenitrile

Mass-Spectra

Compound Details

Synonymous names
HEXANENITRILE
628-73-9
Capronitrile
Hexanonitrile
n-Capronitrile
Pentyl cyanide
1-Cyanopentane
Tricapronile
n-Amyl cyanide
n-hexanenitrile
Hexane nitrile
Nitriles, C6-12
n-Pentyl cyanide
NSC 1076
68002-67-5
S1XKP5498P
NSC-1076
Hexanenitrile--d3
EINECS 211-052-0
BRN 1633601
UNII-S1XKP5498P
AI3-28396
Amyl Cyanide
n-Caproic nitrile
EINECS 268-081-7
Hexanenitrile, 98%
1219805-03-4
WLN: NC5
4-02-00-00930 (Beilstein Handbook Reference)
DTXSID0060858
NSC1076
CHEBI:229321
MFCD00001979
AKOS000158157
H0102
NS00035201
D90798
Q27288465
InChI=1/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H
Microorganism:

Yes

IUPAC namehexanenitrile
SMILESCCCCCC#N
InchiInChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
FormulaC6H11N
PubChem ID12352
Molweight97.16
LogP1.7
Atoms7
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationnitriles nitrogen compounds
CHEBI-ID229321
Supernatural-IDSN0006527

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaStreptomyces Sp.NAJones et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno
ProkaryotaStreptomyces Sp.YPD agarGCxGC-TOFMSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno