CID 15958361

2,5-hexadienoic acid, 2,6-dihydroxy-6-(2-methoxyphenyl)-4-oxo-, methyl ester, (2z,5z)-

Structural Information

Molecular Formula
C14H14O6
SMILES
COC1=CC=CC=C1/C(=C/C(=O)/C=C(/C(=O)OC)\O)/O
InChI
InChI=1S/C14H14O6/c1-19-13-6-4-3-5-10(13)11(16)7-9(15)8-12(17)14(18)20-2/h3-8,16-17H,1-2H3/b11-7-,12-8-
InChIKey
UQWSSOBMGXYYND-OXAWKVHCSA-N
Compound name
methyl (2Z,5Z)-2,6-dihydroxy-6-(2-methoxyphenyl)-4-oxohexa-2,5-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.07904 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.086316 160.5
[M+Na]+ 301.068258 165.7
[M-H]- 277.071764 161.1
[M+NH4]+ 296.112863 174.7
[M+K]+ 317.042198 164.0
[M+H-H2O]+ 261.076300 154.3
[M+HCOO]- 323.077241 178.6
[M+CH3COO]- 337.092891 193.2
[M+Na-2H]- 299.053706 159.8
[M]+ 278.07849142 162.0
[M]- 278.07958858 162.0
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.