CID 91131

Trans-2,4,5-trimethoxycinnamic acid

Structural Information

Molecular Formula

C₁₂H₁₄O₅

SMILES

COC1=CC(=C(C=C1C=CC(=O)O)OC)OC

InChI

InChI=1S/C12H14O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3,(H,13,14)

InChIKey

XCEGAEUDHJEYRY-UHFFFAOYSA-N

Compound name

3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 203
Patents: 238.08412 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]+	239.09140	149.1
[M+Na]+	261.07334	157.6
[M-H]-	237.07684	151.9
[M+NH4]+	256.11794	166.6
[M+K]+	277.04728	156.3
[M+H-H2O]+	221.08138	143.2
[M+HCOO]-	283.08232	171.7
[M+CH3COO]-	297.09797	190.1
[M+Na-2H]-	259.05879	152.1
[M]+	238.08357	154.6
[M]-	238.08467	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe