CID 129720117

P-coumaroyl glycolic acid

Structural Information

Molecular Formula
C11H10O5
SMILES
C1=CC(=CC=C1/C=C/C(=O)C(C(=O)O)O)O
InChI
InChI=1S/C11H10O5/c12-8-4-1-7(2-5-8)3-6-9(13)10(14)11(15)16/h1-6,10,12,14H,(H,15,16)/b6-3+
InChIKey
ICGTVTIBYULVLN-ZZXKWVIFSA-N
Compound name
(E)-2-hydroxy-5-(4-hydroxyphenyl)-3-oxopent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

222.05283 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.060106 146.2
[M+Na]+ 245.042048 152.2
[M-H]- 221.045554 145.7
[M+NH4]+ 240.086653 161.9
[M+K]+ 261.015988 149.6
[M+H-H2O]+ 205.050090 140.7
[M+HCOO]- 267.051031 164.2
[M+CH3COO]- 281.066681 180.8
[M+Na-2H]- 243.027496 147.5
[M]+ 222.05228142 144.7
[M]- 222.05337858 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe