CID 97105

Cyclohexylideneacetonitrile

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

C1CCC(=CC#N)CC1

InChI

InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h6H,1-5H2

InChIKey

VLRQRRQHXZCEDL-UHFFFAOYSA-N

Compound name

2-cyclohexylideneacetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 184
Patents: 121.08915 Da
Monoisotopic Mass: 2.0
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	125.4
[M+Na]+	144.07837	133.2
[M-H]-	120.08187	128.3
[M+NH4]+	139.12297	145.5
[M+K]+	160.05231	130.1
[M+H-H2O]+	104.08641	113.9
[M+HCOO]-	166.08735	143.1
[M+CH3COO]-	180.10300	182.6
[M+Na-2H]-	142.06382	131.2
[M]+	121.08860	115.6
[M]-	121.08970	115.6

Literature stripe

literature stripe

Patent stripe

patents stripe