CID 6438193

2-nonenenitrile

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

CCCCCC/C=C\C#N

InChI

InChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3/b8-7-

InChIKey

WOVJAWMZNOWDII-FPLPWBNLSA-N

Compound name

(Z)-non-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1186
Patents: 137.12045 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	138.12773	129.1
[M+Na]+	160.10967	137.6
[M-H]-	136.11317	129.8
[M+NH4]+	155.15427	149.2
[M+K]+	176.08361	135.8
[M+H-H2O]+	120.11771	118.1
[M+HCOO]-	182.11865	149.0
[M+CH3COO]-	196.13430	188.9
[M+Na-2H]-	158.09512	135.0
[M]+	137.11990	126.0
[M]-	137.12100	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe