CID 244728

3-ethoxy-4-methoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CCOC1=C(C=CC(=C1)C=O)OC

InChI

InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3

InChIKey

VAMZHXWLGRQSJS-UHFFFAOYSA-N

Compound name

3-ethoxy-4-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 765
Patents: 180.07864 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]+	181.08592	136.6
[M+Na]+	203.06786	149.8
[M+NH4]+	198.11246	144.7
[M+K]+	219.04180	143.4
[M-H]-	179.07136	138.3
[M+Na-2H]-	201.05331	143.3
[M]+	180.07809	138.9
[M]-	180.07919	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe