CID 4140856

6-heptenenitrile

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C=CCCCCC#N

InChI

InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2H,1,3-6H2

InChIKey

ZLWQKLRMIQIHKQ-UHFFFAOYSA-N

Compound name

hept-6-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 109.08915 Da
Monoisotopic Mass: 1.9
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]+	110.09643	124.3
[M+Na]+	132.07837	135.0
[M+NH4]+	127.12297	129.4
[M+K]+	148.05231	125.3
[M-H]-	108.08187	117.5
[M+Na-2H]-	130.06382	126.7
[M]+	109.08860	122.9
[M]-	109.08970	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe