CID 637540

2-hydroxycinnamic acid

Structural Information

Molecular Formula

C₉H₈O₃

SMILES

C1=CC=C(C(=C1)/C=C/C(=O)O)O

InChI

InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+

InChIKey

PMOWTIHVNWZYFI-AATRIKPKSA-N

Compound name

(E)-3-(2-hydroxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 95
References: 14627
Patents: 164.04735 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.054626	131.9
[M+Na]+	187.036568	139.8
[M-H]-	163.040074	133.2
[M+NH4]+	182.081173	151.3
[M+K]+	203.010508	136.9
[M+H-H2O]+	147.044610	126.9
[M+HCOO]-	209.045551	153.6
[M+CH3COO]-	223.061201	171.7
[M+Na-2H]-	185.022016	137.3
[M]+	164.04680142	130.7
[M]-	164.04789858	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe