CID 239213

174292-59-2

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)[C@@H]1CC[C@@H](C1)O
InChI
InChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKey
ASZRODBLMORHAR-RITPCOANSA-N
Compound name
methyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

144.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.3
[M+Na]+ 167.06786 138.9
[M+NH4]+ 162.11246 138.0
[M+K]+ 183.04180 136.7
[M-H]- 143.07136 130.0
[M+Na-2H]- 165.05331 133.1
[M]+ 144.07809 131.0
[M]- 144.07919 131.0
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