CID 165995356

Rac-2-[(1r,3s)-3-(methoxycarbonyl)cyclopentyl]acetic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
COC(=O)[C@@H]1CC[C@@H](C1)CC(=O)O
InChI
InChI=1S/C9H14O4/c1-13-9(12)7-3-2-6(4-7)5-8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+/m0/s1
InChIKey
XXGKJKNSSZBTDM-NKWVEPMBSA-N
Compound name
2-[(1S,3R)-3-methoxycarbonylcyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 140.8
[M+Na]+ 209.078418 146.5
[M-H]- 185.081924 142.6
[M+NH4]+ 204.123023 161.4
[M+K]+ 225.052358 146.1
[M+H-H2O]+ 169.086460 135.9
[M+HCOO]- 231.087401 160.9
[M+CH3COO]- 245.103051 178.1
[M+Na-2H]- 207.063866 141.3
[M]+ 186.08865142 140.0
[M]- 186.08974858 140.0
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

No patent data available for this compound.