CID 269543

2,5-dimethoxycinnamaldehyde

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

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

InChI

InChI=1S/C11H12O3/c1-13-10-5-6-11(14-2)9(8-10)4-3-7-12/h3-8H,1-2H3

InChIKey

QODHTNANDXLRSB-UHFFFAOYSA-N

Compound name

3-(2,5-dimethoxyphenyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 192.07864 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]+	193.085916	138.6
[M+Na]+	215.067858	147.6
[M-H]-	191.071364	142.7
[M+NH4]+	210.112463	158.7
[M+K]+	231.041798	145.7
[M+H-H2O]+	175.075900	132.8
[M+HCOO]-	237.076841	163.7
[M+CH3COO]-	251.092491	183.3
[M+Na-2H]-	213.053306	144.5
[M]+	192.07809142	142.9
[M]-	192.07918858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe