CID 5357283

Methyl ferulate

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

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

InChI

InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+

InChIKey

AUJXJFHANFIVKH-GQCTYLIASA-N

Compound name

methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 73
References: 1775
Patents: 208.07356 Da
Monoisotopic Mass: 1.8
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]+	209.08084	142.8
[M+Na]+	231.06278	151.1
[M-H]-	207.06628	145.5
[M+NH4]+	226.10738	161.4
[M+K]+	247.03672	149.3
[M+H-H2O]+	191.07082	137.1
[M+HCOO]-	253.07176	165.5
[M+CH3COO]-	267.08741	183.0
[M+Na-2H]-	229.04823	146.9
[M]+	208.07301	145.9
[M]-	208.07411	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe