CID 13693422

25882-61-5

Structural Information

Molecular Formula

C₇H₁₁ClO₂

SMILES

C1CCC(CC1)(C(=O)O)Cl

InChI

InChI=1S/C7H11ClO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H,9,10)

InChIKey

ACHWOAWMCHWXIO-UHFFFAOYSA-N

Compound name

1-chlorocyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 496
Patents: 162.04475 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]+	163.05203	131.5
[M+Na]+	185.03397	138.0
[M-H]-	161.03747	133.3
[M+NH4]+	180.07857	154.1
[M+K]+	201.00791	135.4
[M+H-H2O]+	145.04201	128.4
[M+HCOO]-	207.04295	146.1
[M+CH3COO]-	221.05860	171.2
[M+Na-2H]-	183.01942	136.8
[M]+	162.04420	128.3
[M]-	162.04530	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe