CID 3060305

77945-11-0

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

C1CCC(CC1)(CCO)CC(=O)O

InChI

InChI=1S/C10H18O3/c11-7-6-10(8-9(12)13)4-2-1-3-5-10/h11H,1-8H2,(H,12,13)

InChIKey

GSCCTDBRXKTONO-UHFFFAOYSA-N

Compound name

2-[1-(2-hydroxyethyl)cyclohexyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 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]+	187.132876	143.9
[M+Na]+	209.114818	147.8
[M-H]-	185.118324	143.8
[M+NH4]+	204.159423	163.8
[M+K]+	225.088758	146.2
[M+H-H2O]+	169.122860	139.4
[M+HCOO]-	231.123801	160.6
[M+CH3COO]-	245.139451	175.8
[M+Na-2H]-	207.100266	147.5
[M]+	186.12505142	139.5
[M]-	186.12614858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.