CID 5280393

4-maleylacetoacetic acid

Structural Information

Molecular Formula
C8H8O6
SMILES
C(C(=O)CC(=O)O)C(=O)/C=C\C(=O)O
InChI
InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-
InChIKey
GACSIVHAIFQKTC-UPHRSURJSA-N
Compound name
(Z)-4,6-dioxooct-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

165
References

1801
Patents

200.03209 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.039366 138.7
[M+Na]+ 223.021308 144.6
[M-H]- 199.024814 136.0
[M+NH4]+ 218.065913 155.7
[M+K]+ 238.995248 143.9
[M+H-H2O]+ 183.029350 133.9
[M+HCOO]- 245.030291 157.2
[M+CH3COO]- 259.045941 178.8
[M+Na-2H]- 221.006756 139.0
[M]+ 200.03154142 139.4
[M]- 200.03263858 139.4
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.