CID 8419

3,4-dimethoxybenzaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3

InChIKey

WJUFSDZVCOTFON-UHFFFAOYSA-N

Compound name

3,4-dimethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 100
References: 17609
Patents: 166.06299 Da
Monoisotopic Mass: 1.5
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]+	167.07027	132.0
[M+Na]+	189.05221	145.5
[M+NH4]+	184.09681	140.3
[M+K]+	205.02615	139.3
[M-H]-	165.05571	133.9
[M+Na-2H]-	187.03766	139.0
[M]+	166.06244	134.4
[M]-	166.06354	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe