CID 22640706

227203-34-1

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1CCC(CC1)(C#N)C(=O)O

InChI

InChI=1S/C8H11NO2/c9-6-8(7(10)11)4-2-1-3-5-8/h1-5H2,(H,10,11)

InChIKey

ISEJXQAAWBXLGB-UHFFFAOYSA-N

Compound name

1-cyanocyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 153.07898 Da
Monoisotopic Mass: 1.6
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]+	154.08626	134.1
[M+Na]+	176.06820	143.3
[M+NH4]+	171.11280	139.8
[M+K]+	192.04214	133.9
[M-H]-	152.07170	127.6
[M+Na-2H]-	174.05365	137.3
[M]+	153.07843	132.6
[M]-	153.07953	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe