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

121
Patents

144.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 131.0
[M+Na]+ 167.067858 137.1
[M-H]- 143.071364 131.6
[M+NH4]+ 162.112463 154.4
[M+K]+ 183.041798 135.9
[M+H-H2O]+ 127.075900 127.3
[M+HCOO]- 189.076841 150.8
[M+CH3COO]- 203.092491 166.4
[M+Na-2H]- 165.053306 135.0
[M]+ 144.07809142 127.5
[M]- 144.07918858 127.5
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