CID 552195

2-hydroxycyclopentane-1-carboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CC(C(C1)O)C(=O)O

InChI

InChI=1S/C6H10O3/c7-5-3-1-2-4(5)6(8)9/h4-5,7H,1-3H2,(H,8,9)

InChIKey

VCHGSWURBGPKQZ-UHFFFAOYSA-N

Compound name

2-hydroxycyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 130.06299 Da
Monoisotopic Mass: 0.5
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]+	131.07027	126.0
[M+Na]+	153.05221	132.5
[M-H]-	129.05571	126.8
[M+NH4]+	148.09681	148.2
[M+K]+	169.02615	131.4
[M+H-H2O]+	113.06025	121.7
[M+HCOO]-	175.06119	146.1
[M+CH3COO]-	189.07684	165.0
[M+Na-2H]-	151.03766	128.6
[M]+	130.06244	122.1
[M]-	130.06354	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe