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 171.1
[M+Na]+ 377.04792 173.8
[M-H]- 353.05142 167.4
[M+NH4]+ 372.09252 179.2
[M+K]+ 393.02186 173.4
[M+H-H2O]+ 337.05596 165.1
[M+HCOO]- 399.05690 182.6
[M+CH3COO]- 413.07255 200.5
[M+Na-2H]- 375.03337 169.4
[M]+ 354.05815 171.4
[M]- 354.05925 171.4
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

patents stripe