CID 446834

5-hydroxyferulic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

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

InChI

InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+

InChIKey

YFXWTVLDSKSYLW-NSCUHMNNSA-N

Compound name

(E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 19
References: 660
Patents: 210.05283 Da
Monoisotopic Mass: 1.1
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]+	211.06011	141.6
[M+Na]+	233.04205	150.1
[M-H]-	209.04555	141.9
[M+NH4]+	228.08665	158.7
[M+K]+	249.01599	147.4
[M+H-H2O]+	193.05009	136.4
[M+HCOO]-	255.05103	161.7
[M+CH3COO]-	269.06668	179.3
[M+Na-2H]-	231.02750	144.5
[M]+	210.05228	142.5
[M]-	210.05338	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe