CID 12302486

(1r,2r)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
CC1([C@@H]([C@H]1C(=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)/t3-,4-/m0/s1
InChIKey
MSPJNHHBNOLHOC-IMJSIDKUSA-N
Compound name
(1R,2R)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2381
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 129.2
[M+Na]+ 181.04712 139.6
[M-H]- 157.05062 132.2
[M+NH4]+ 176.09172 146.2
[M+K]+ 197.02106 137.9
[M+H-H2O]+ 141.05516 126.1
[M+HCOO]- 203.05610 148.9
[M+CH3COO]- 217.07175 177.0
[M+Na-2H]- 179.03257 133.1
[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

No literature data available for this compound.

Patent stripe

patents stripe