CID 21416779

P-coumaroyl-diketide

Structural Information

Molecular Formula
C11H10O4
SMILES
C1=CC(=CC=C1/C=C/C(=O)CC(=O)O)O
InChI
InChI=1S/C11H10O4/c12-9-4-1-8(2-5-9)3-6-10(13)7-11(14)15/h1-6,12H,7H2,(H,14,15)/b6-3+
InChIKey
VKCHGHDJFMXENE-ZZXKWVIFSA-N
Compound name
(E)-5-(4-hydroxyphenyl)-3-oxopent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

206.0579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 144.4
[M+Na]+ 229.04712 154.8
[M+NH4]+ 224.09172 150.2
[M+K]+ 245.02106 150.5
[M-H]- 205.05062 143.5
[M+Na-2H]- 227.03257 148.3
[M]+ 206.05735 145.2
[M]- 206.05845 145.2
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