CID 697594

2',5'-dimethoxycinnamic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

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

InChI

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

InChIKey

JPQWWJZORKTMIZ-ZZXKWVIFSA-N

Compound name

(E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 360
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]+	209.080836	142.5
[M+Na]+	231.062778	150.8
[M-H]-	207.066284	145.3
[M+NH4]+	226.107383	161.1
[M+K]+	247.036718	149.0
[M+H-H2O]+	191.070820	136.8
[M+HCOO]-	253.071761	165.3
[M+CH3COO]-	267.087411	183.7
[M+Na-2H]-	229.048226	146.7
[M]+	208.07301142	145.8
[M]-	208.07410858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe