CID 5463156

2-hydroxy-3-methoxycinnamic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

COC1=CC=CC(=C1O)/C=C/C(=O)O

InChI

InChI=1S/C10H10O4/c1-14-8-4-2-3-7(10(8)13)5-6-9(11)12/h2-6,13H,1H3,(H,11,12)/b6-5+

InChIKey

VZFPHVWLPRCAGD-AATRIKPKSA-N

Compound name

(E)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 194.0579 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]+	195.06518	140.3
[M+Na]+	217.04712	151.6
[M+NH4]+	212.09172	146.7
[M+K]+	233.02106	147.1
[M-H]-	193.05062	140.0
[M+Na-2H]-	215.03257	144.7
[M]+	194.05735	141.5
[M]-	194.05845	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe