CID 54740563

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-QSDRKMMISA-N
Compound name
(Z,4E)-2-hydroxy-4-(2-methoxy-2-oxoethylidene)pent-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

3
Patents

216.02701 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.034286 141.9
[M+Na]+ 239.016228 147.2
[M-H]- 215.019734 137.9
[M+NH4]+ 234.060833 157.6
[M+K]+ 254.990168 146.8
[M+H-H2O]+ 199.024270 137.2
[M+HCOO]- 261.025211 158.2
[M+CH3COO]- 275.040861 178.4
[M+Na-2H]- 237.001676 140.5
[M]+ 216.02646142 141.4
[M]- 216.02755858 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

No patent data available for this compound.