CID 25200593

2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate

Structural Information

Molecular Formula
C8H10O5
SMILES
C=C1CC1C(C(C(=O)O)O)C(=O)O
InChI
InChI=1S/C8H10O5/c1-3-2-4(3)5(7(10)11)6(9)8(12)13/h4-6,9H,1-2H2,(H,10,11)(H,12,13)
InChIKey
HEWAJTLQEJUAGF-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(2-methylidenecyclopropyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

186.05283 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.060106 134.0
[M+Na]+ 209.042048 141.8
[M-H]- 185.045554 134.9
[M+NH4]+ 204.086653 146.7
[M+K]+ 225.015988 138.7
[M+H-H2O]+ 169.050090 129.3
[M+HCOO]- 231.051031 150.9
[M+CH3COO]- 245.066681 179.9
[M+Na-2H]- 207.027496 134.1
[M]+ 186.05228142 135.0
[M]- 186.05337858 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.