CID 6366493

2-butenoic acid, 4-oxo-4-(2,4,6-trimethoxyphenyl)-, (e)-

Structural Information

Molecular Formula
C13H14O6
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C(=O)O)OC
InChI
InChI=1S/C13H14O6/c1-17-8-6-10(18-2)13(11(7-8)19-3)9(14)4-5-12(15)16/h4-7H,1-3H3,(H,15,16)/b5-4+
InChIKey
JGSSWWVFPVCZCM-SNAWJCMRSA-N
Compound name
(E)-4-oxo-4-(2,4,6-trimethoxyphenyl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

266.07904 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.086316 154.6
[M+Na]+ 289.068258 162.6
[M-H]- 265.071764 157.3
[M+NH4]+ 284.112863 170.7
[M+K]+ 305.042198 161.5
[M+H-H2O]+ 249.076300 148.4
[M+HCOO]- 311.077241 176.2
[M+CH3COO]- 325.092891 195.4
[M+Na-2H]- 287.053706 156.1
[M]+ 266.07849142 160.6
[M]- 266.07958858 160.6
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