CID 25201227

2-hydroxy-2-(2-methylidenecyclopropyl)butanedioic acid

Structural Information

Molecular Formula
C8H10O5
SMILES
C=C1CC1C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C8H10O5/c1-4-2-5(4)8(13,7(11)12)3-6(9)10/h5,13H,1-3H2,(H,9,10)(H,11,12)
InChIKey
HVURSLAWIDCRKB-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-methylidenecyclopropyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

186.05283 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.060106 134.7
[M+Na]+ 209.042048 143.3
[M-H]- 185.045554 135.7
[M+NH4]+ 204.086653 147.6
[M+K]+ 225.015988 139.7
[M+H-H2O]+ 169.050090 130.5
[M+HCOO]- 231.051031 151.9
[M+CH3COO]- 245.066681 178.3
[M+Na-2H]- 207.027496 138.0
[M]+ 186.05228142 136.5
[M]- 186.05337858 136.5
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.