CID 263764

3,3-dimethylcyclopropane-1,2-dicarboxylic 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

2337
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 134.0
[M+Na]+ 181.04712 144.5
[M+NH4]+ 176.09172 142.0
[M+K]+ 197.02106 141.7
[M-H]- 157.05062 139.4
[M+Na-2H]- 179.03257 140.0
[M]+ 158.05735 137.9
[M]- 158.05845 137.9
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