CID 717531

3,4-dimethoxycinnamic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

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

InChI

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

InChIKey

HJBWJAPEBGSQPR-GQCTYLIASA-N

Compound name

(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 48
References: 1718
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	144.2
[M+Na]+	231.06278	155.9
[M+NH4]+	226.10738	150.8
[M+K]+	247.03672	150.8
[M-H]-	207.06628	144.4
[M+Na-2H]-	229.04823	149.0
[M]+	208.07301	145.6
[M]-	208.07411	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe