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: 285
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]+	122.096426	124.4
[M+Na]+	144.078368	132.7
[M-H]-	120.081874	127.4
[M+NH4]+	139.122973	144.5
[M+K]+	160.052308	130.0
[M+H-H2O]+	104.086410	112.8
[M+HCOO]-	166.087351	143.1
[M+CH3COO]-	180.103001	183.8
[M+Na-2H]-	142.063816	131.1
[M]+	121.08860142	116.6
[M]-	121.08969858	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe