CID 69834

Cyanocyclohexane

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C1CCC(CC1)C#N

InChI

InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2

InChIKey

VBWIZSYFQSOUFQ-UHFFFAOYSA-N

Compound name

cyclohexanecarbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 19814
Patents: 109.08915 Da
Monoisotopic Mass: 2.1
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]+	110.096426	121.1
[M+Na]+	132.078368	129.0
[M-H]-	108.081874	124.1
[M+NH4]+	127.122973	141.6
[M+K]+	148.052308	126.7
[M+H-H2O]+	92.086410	109.8
[M+HCOO]-	154.087351	138.9
[M+CH3COO]-	168.103001	181.4
[M+Na-2H]-	130.063816	127.5
[M]+	109.08860142	111.8
[M]-	109.08969858	111.8

Literature stripe

literature stripe

Patent stripe

patents stripe