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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 131.8
[M+Na]+ 167.06786 136.7
[M-H]- 143.07136 132.1
[M+NH4]+ 162.11246 153.1
[M+K]+ 183.04180 135.9
[M+H-H2O]+ 127.07590 127.1
[M+HCOO]- 189.07684 150.6
[M+CH3COO]- 203.09249 167.8
[M+Na-2H]- 165.05331 133.3
[M]+ 144.07809 127.3
[M]- 144.07919 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe