CID 7413

Cyclohexanecarboxylic acid

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1CCC(CC1)C(=O)O

InChI

InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

InChIKey

NZNMSOFKMUBTKW-UHFFFAOYSA-N

Compound name

cyclohexanecarboxylic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 85
References: 76971
Patents: 128.08372 Da
Monoisotopic Mass: 1.9
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]+	129.09100	126.9
[M+Na]+	151.07294	136.7
[M+NH4]+	146.11754	135.4
[M+K]+	167.04688	131.7
[M-H]-	127.07644	127.9
[M+Na-2H]-	149.05839	131.4
[M]+	128.08317	128.2
[M]-	128.08427	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe