CID 25244816

Cis-6'-hydroxyferulate

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)O)O)O

InChI

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

InChIKey

QVTORZSLDIMFQS-NSCUHMNNSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4
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]+	211.060106	141.6
[M+Na]+	233.042048	150.1
[M-H]-	209.045554	141.9
[M+NH4]+	228.086653	158.7
[M+K]+	249.015988	147.4
[M+H-H2O]+	193.050090	136.4
[M+HCOO]-	255.051031	161.7
[M+CH3COO]-	269.066681	179.3
[M+Na-2H]-	231.027496	144.5
[M]+	210.05228142	142.5
[M]-	210.05337858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe