CID 54758716

Chmod

Structural Information

Molecular Formula
C8H8O7
SMILES
COC(=O)/C=C(/C=C(/C(=O)O)\O)\C(=O)O
InChI
InChI=1S/C8H8O7/c1-15-6(10)3-4(7(11)12)2-5(9)8(13)14/h2-3,9H,1H3,(H,11,12)(H,13,14)/b4-3-,5-2-
InChIKey
GMSSRLGBUSZBFV-DSLBBWRCSA-N
Compound name
(Z,4Z)-2-hydroxy-4-(2-methoxy-2-oxoethylidene)pent-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2
Patents

216.02701 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03429 141.9
[M+Na]+ 239.01623 147.2
[M-H]- 215.01973 137.9
[M+NH4]+ 234.06083 157.6
[M+K]+ 254.99017 146.8
[M+H-H2O]+ 199.02427 137.2
[M+HCOO]- 261.02521 158.2
[M+CH3COO]- 275.04086 178.4
[M+Na-2H]- 237.00168 140.5
[M]+ 216.02646 141.4
[M]- 216.02756 141.4
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

patents stripe