CID 61203

1,1,2-cyclopropanetricarboxylic acid, 3-methyl-, trans-

Structural Information

Molecular Formula
C7H8O6
SMILES
C[C@@H]1[C@H](C1(C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C7H8O6/c1-2-3(4(8)9)7(2,5(10)11)6(12)13/h2-3H,1H3,(H,8,9)(H,10,11)(H,12,13)/t2-,3+/m1/s1
InChIKey
UHPKJNPSAVBBLM-GBXIJSLDSA-N
Compound name
cis-(2R,3R)-3-methylcyclopropane-1,1,2-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03209 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.039366 133.1
[M+Na]+ 211.021308 142.9
[M-H]- 187.024814 134.6
[M+NH4]+ 206.065913 147.9
[M+K]+ 226.995248 140.9
[M+H-H2O]+ 171.029350 130.2
[M+HCOO]- 233.030291 150.8
[M+CH3COO]- 247.045941 179.1
[M+Na-2H]- 209.006756 135.6
[M]+ 188.03154142 136.7
[M]- 188.03263858 136.7
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.