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]+ 187.06011 134.0
[M+Na]+ 209.04205 141.8
[M-H]- 185.04555 134.9
[M+NH4]+ 204.08665 146.7
[M+K]+ 225.01599 138.7
[M+H-H2O]+ 169.05009 129.3
[M+HCOO]- 231.05103 150.9
[M+CH3COO]- 245.06668 179.9
[M+Na-2H]- 207.02750 134.1
[M]+ 186.05228 135.0
[M]- 186.05338 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.