CID 131752858

2-o-p-coumaroylhydroxycitric acid

Structural Information

Molecular Formula
C15H14O10
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O)O
InChI
InChI=1S/C15H14O10/c16-9-4-1-8(2-5-9)3-6-11(19)25-12(13(20)21)15(24,14(22)23)7-10(17)18/h1-6,12,16,24H,7H2,(H,17,18)(H,20,21)(H,22,23)/b6-3+
InChIKey
ZHUVVSHTKJAVQB-ZZXKWVIFSA-N
Compound name
2-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

354.0587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06598 172.5
[M+Na]+ 377.04792 176.0
[M+NH4]+ 372.09252 171.7
[M+K]+ 393.02186 179.2
[M-H]- 353.05142 164.9
[M+Na-2H]- 375.03337 169.9
[M]+ 354.05815 169.7
[M]- 354.05925 169.7
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