CID 69175

2,4-dimethoxybenzaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

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

InChIKey

LWRSYTXEQUUTKW-UHFFFAOYSA-N

Compound name

2,4-dimethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 29
References: 5161
Patents: 166.06299 Da
Monoisotopic Mass: 1.7
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]+	167.070266	130.4
[M+Na]+	189.052208	140.0
[M-H]-	165.055714	134.8
[M+NH4]+	184.096813	151.6
[M+K]+	205.026148	139.2
[M+H-H2O]+	149.060250	125.0
[M+HCOO]-	211.061191	156.0
[M+CH3COO]-	225.076841	178.8
[M+Na-2H]-	187.037656	137.5
[M]+	166.06244142	134.8
[M]-	166.06353858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe