CID 688197

2,4-diethoxy-3-methylbenzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CCOC1=C(C(=C(C=C1)C=O)OCC)C

InChI

InChI=1S/C12H16O3/c1-4-14-11-7-6-10(8-13)12(9(11)3)15-5-2/h6-8H,4-5H2,1-3H3

InChIKey

NLDIABAZQRPFHD-UHFFFAOYSA-N

Compound name

2,4-diethoxy-3-methylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 208.10994 Da
Monoisotopic Mass: 2.4
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]+	209.11722	145.2
[M+Na]+	231.09916	158.4
[M+NH4]+	226.14376	153.0
[M+K]+	247.07310	151.7
[M-H]-	207.10266	146.9
[M+Na-2H]-	229.08461	151.1
[M]+	208.10939	147.5
[M]-	208.11049	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe