CID 52519

73805-88-6

Structural Information

Molecular Formula
C7H10O4
SMILES
CC1CC(C1C(=O)O)C(=O)O
InChI
InChI=1S/C7H10O4/c1-3-2-4(6(8)9)5(3)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11)
InChIKey
WCWSAVMUIXLDCO-UHFFFAOYSA-N
Compound name
3-methylcyclobutane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

341
Patents

158.0579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 131.6
[M+Na]+ 181.04712 137.1
[M-H]- 157.05062 132.7
[M+NH4]+ 176.09172 144.5
[M+K]+ 197.02106 139.6
[M+H-H2O]+ 141.05516 121.9
[M+HCOO]- 203.05610 149.4
[M+CH3COO]- 217.07175 177.0
[M+Na-2H]- 179.03257 132.8
[M]+ 158.05735 138.9
[M]- 158.05845 138.9
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