CID 348266

2-(1-hydroxycyclopentyl)acetic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
C1CCC(C1)(CC(=O)O)O
InChI
InChI=1S/C7H12O3/c8-6(9)5-7(10)3-1-2-4-7/h10H,1-5H2,(H,8,9)
InChIKey
DBPKXKVVVZWLEI-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

144.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 131.3
[M+Na]+ 167.06786 139.0
[M+NH4]+ 162.11246 140.0
[M+K]+ 183.04180 135.2
[M-H]- 143.07136 130.3
[M+Na-2H]- 165.05331 135.2
[M]+ 144.07809 131.8
[M]- 144.07919 131.8
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