CID 6448224

(e)-4-(2,4,5-trimethoxyphenyl)-4-oxo-2-butenoic acid

Structural Information

Molecular Formula
C13H14O6
SMILES
COC1=CC(=C(C=C1C(=O)/C=C/C(=O)O)OC)OC
InChI
InChI=1S/C13H14O6/c1-17-10-7-12(19-3)11(18-2)6-8(10)9(14)4-5-13(15)16/h4-7H,1-3H3,(H,15,16)/b5-4+
InChIKey
JBXWNCIBOAJHPH-SNAWJCMRSA-N
Compound name
(E)-4-oxo-4-(2,4,5-trimethoxyphenyl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

266.07904 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08632 157.4
[M+Na]+ 289.06826 167.7
[M+NH4]+ 284.11286 162.0
[M+K]+ 305.04220 164.2
[M-H]- 265.07176 156.0
[M+Na-2H]- 287.05371 160.1
[M]+ 266.07849 158.0
[M]- 266.07959 158.0
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