CID 263764

3,3-dimethyl-1,2-cyclopropanedicarboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
CC1(C(C1C(=O)O)C(=O)O)C
InChI
InChI=1S/C7H10O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKey
MSPJNHHBNOLHOC-UHFFFAOYSA-N
Compound name
3,3-dimethylcyclopropane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2527
Patents

158.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 129.2
[M+Na]+ 181.047118 139.6
[M-H]- 157.050624 132.2
[M+NH4]+ 176.091723 146.2
[M+K]+ 197.021058 137.9
[M+H-H2O]+ 141.055160 126.1
[M+HCOO]- 203.056101 148.9
[M+CH3COO]- 217.071751 177.0
[M+Na-2H]- 179.032566 133.1
[M]+ 158.05735142 132.9
[M]- 158.05844858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.