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
2
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]+ 291.08632 163.2
[M+Na]+ 313.06826 168.0
[M-H]- 289.07176 163.5
[M+NH4]+ 308.11286 176.5
[M+K]+ 329.04220 165.4
[M+H-H2O]+ 273.07630 156.7
[M+HCOO]- 335.07724 181.0
[M+CH3COO]- 349.09289 196.7
[M+Na-2H]- 311.05371 161.9
[M]+ 290.07849 164.4
[M]- 290.07959 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.