CID 52333148

(2s)-2-cyclopentyl-2-hydroxyacetic acid

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

C1CCC(C1)[C@@H](C(=O)O)O

InChI

InChI=1S/C7H12O3/c8-6(7(9)10)5-3-1-2-4-5/h5-6,8H,1-4H2,(H,9,10)/t6-/m0/s1

InChIKey

WHZPPIIMQBJUHW-LURJTMIESA-N

Compound name

(2S)-2-cyclopentyl-2-hydroxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 144.07864 Da
Monoisotopic Mass: 1.0
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]+	145.08592	131.4
[M+Na]+	167.06786	138.6
[M+NH4]+	162.11246	138.4
[M+K]+	183.04180	137.3
[M-H]-	143.07136	130.2
[M+Na-2H]-	165.05331	133.3
[M]+	144.07809	131.5
[M]-	144.07919	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe