CID 5280910

2,4-dihydroxyhept-2-enedioic acid

Structural Information

Molecular Formula
C7H10O6
SMILES
C(CC(=O)O)C(/C=C(/C(=O)O)\O)O
InChI
InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)/b5-3-
InChIKey
APNIDHDQYISZAE-HYXAFXHYSA-N
Compound name
(Z)-2,4-dihydroxyhept-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

32
Patents

190.04774 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05502 139.3
[M+Na]+ 213.03696 144.1
[M-H]- 189.04046 133.8
[M+NH4]+ 208.08156 155.4
[M+K]+ 229.01090 143.1
[M+H-H2O]+ 173.04500 134.7
[M+HCOO]- 235.04594 154.6
[M+CH3COO]- 249.06159 172.8
[M+Na-2H]- 211.02241 138.7
[M]+ 190.04719 137.1
[M]- 190.04829 137.1
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

patents stripe