CID 22555

2,2-diethoxyacetophenone

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

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

InChI

InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3

InChIKey

PIZHFBODNLEQBL-UHFFFAOYSA-N

Compound name

2,2-diethoxy-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 63420
Patents: 208.10994 Da
Monoisotopic Mass: 2.2
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]+	209.117216	146.8
[M+Na]+	231.099158	152.6
[M-H]-	207.102664	150.0
[M+NH4]+	226.143763	165.4
[M+K]+	247.073098	151.9
[M+H-H2O]+	191.107200	140.4
[M+HCOO]-	253.108141	169.3
[M+CH3COO]-	267.123791	187.2
[M+Na-2H]-	229.084606	150.9
[M]+	208.10939142	150.2
[M]-	208.11048858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe