CID 117177

1-hydroxycyclopentanecarboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CCC(C1)(C(=O)O)O

InChI

InChI=1S/C6H10O3/c7-5(8)6(9)3-1-2-4-6/h9H,1-4H2,(H,7,8)

InChIKey

JJABOWZNFOCHMN-UHFFFAOYSA-N

Compound name

1-hydroxycyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 695
Patents: 130.06299 Da
Monoisotopic Mass: 0.2
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	126.5
[M+Na]+	153.05221	133.0
[M-H]-	129.05571	127.2
[M+NH4]+	148.09681	150.4
[M+K]+	169.02615	132.0
[M+H-H2O]+	113.06025	122.9
[M+HCOO]-	175.06119	146.6
[M+CH3COO]-	189.07684	163.4
[M+Na-2H]-	151.03766	131.0
[M]+	130.06244	122.5
[M]-	130.06354	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe