CID 165994636

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 141.5
[M+Na]+ 209.07842 148.8
[M+NH4]+ 204.12302 147.7
[M+K]+ 225.05236 147.4
[M-H]- 185.08192 140.0
[M+Na-2H]- 207.06387 142.7
[M]+ 186.08865 141.5
[M]- 186.08975 141.5
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

No patent data available for this compound.