CID 107216

Cyclopentane-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
C1CC(CC1C(=O)O)C(=O)O
InChI
InChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)
InChIKey
LNGJOYPCXLOTKL-UHFFFAOYSA-N
Compound name
cyclopentane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

11113
Patents

158.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 133.0
[M+Na]+ 181.04712 140.2
[M+NH4]+ 176.09172 139.2
[M+K]+ 197.02106 139.6
[M-H]- 157.05062 131.1
[M+Na-2H]- 179.03257 134.2
[M]+ 158.05735 132.9
[M]- 158.05845 132.9
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