CID 25245922

P-coumaroyltriacetate

Structural Information

Molecular Formula
C15H14O6
SMILES
C1=CC(=CC=C1/C=C/C(=O)CC(=O)CC(=O)CC(=O)O)O
InChI
InChI=1S/C15H14O6/c16-11-4-1-10(2-5-11)3-6-12(17)7-13(18)8-14(19)9-15(20)21/h1-6,16H,7-9H2,(H,20,21)/b6-3+
InChIKey
YGTSJOBIWGILCS-ZZXKWVIFSA-N
Compound name
(E)-9-(4-hydroxyphenyl)-3,5,7-trioxonon-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

290.07904 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.086316 163.2
[M+Na]+ 313.068258 168.0
[M-H]- 289.071764 163.5
[M+NH4]+ 308.112863 176.5
[M+K]+ 329.042198 165.4
[M+H-H2O]+ 273.076300 156.7
[M+HCOO]- 335.077241 181.0
[M+CH3COO]- 349.092891 196.7
[M+Na-2H]- 311.053706 161.9
[M]+ 290.07849142 164.4
[M]- 290.07958858 164.4
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.