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]+ 187.06011 134.7
[M+Na]+ 209.04205 143.3
[M-H]- 185.04555 135.7
[M+NH4]+ 204.08665 147.6
[M+K]+ 225.01599 139.7
[M+H-H2O]+ 169.05009 130.5
[M+HCOO]- 231.05103 151.9
[M+CH3COO]- 245.06668 178.3
[M+Na-2H]- 207.02750 138.0
[M]+ 186.05228 136.5
[M]- 186.05338 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.