CID 727375

1461-97-8

Structural Information

Molecular Formula
C7H10O4
SMILES
C1C[C@H]([C@@H](C1)C(=O)O)C(=O)O
InChI
InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKey
ASJCSAKCMTWGAH-RFZPGFLSSA-N
Compound name
(1R,2R)-cyclopentane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

5149
Patents

158.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 132.2
[M+Na]+ 181.04712 138.1
[M-H]- 157.05062 132.8
[M+NH4]+ 176.09172 153.0
[M+K]+ 197.02106 137.3
[M+H-H2O]+ 141.05516 127.7
[M+HCOO]- 203.05610 151.3
[M+CH3COO]- 217.07175 170.2
[M+Na-2H]- 179.03257 133.1
[M]+ 158.05735 128.7
[M]- 158.05845 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe