CID 586415

2',4'-diethoxyacetophenone

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

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

InChI

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

InChIKey

HVMNBJVJMFQOOZ-UHFFFAOYSA-N

Compound name

1-(2,4-diethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 208.10994 Da
Monoisotopic Mass: 2.5
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]+	209.11722	145.6
[M+Na]+	231.09916	158.1
[M+NH4]+	226.14376	153.3
[M+K]+	247.07310	152.0
[M-H]-	207.10266	147.1
[M+Na-2H]-	229.08461	151.4
[M]+	208.10939	147.7
[M]-	208.11049	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe