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]+ 159.065176 131.6
[M+Na]+ 181.047118 137.1
[M-H]- 157.050624 132.7
[M+NH4]+ 176.091723 144.5
[M+K]+ 197.021058 139.6
[M+H-H2O]+ 141.055160 121.9
[M+HCOO]- 203.056101 149.4
[M+CH3COO]- 217.071751 177.0
[M+Na-2H]- 179.032566 132.8
[M]+ 158.05735142 138.9
[M]- 158.05844858 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