CID 81461

6975-71-9

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

C1CCC(=CC1)CC#N

InChI

InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2

InChIKey

OYEXEQFKIPJKJK-UHFFFAOYSA-N

Compound name

2-(cyclohexen-1-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 184
Patents: 121.08915 Da
Monoisotopic Mass: 1.7
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]+	122.09643	128.6
[M+Na]+	144.07837	140.1
[M+NH4]+	139.12297	134.8
[M+K]+	160.05231	130.0
[M-H]-	120.08187	124.1
[M+Na-2H]-	142.06382	132.9
[M]+	121.08860	128.1
[M]-	121.08970	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe