CID 14028

Diethyl (2-oxopropyl)phosphonate

Structural Information

Molecular Formula

C₇H₁₅O₄P

SMILES

CCOP(=O)(CC(=O)C)OCC

InChI

InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3

InChIKey

RSAFKRSMGOSHRK-UHFFFAOYSA-N

Compound name

1-diethoxyphosphorylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 590
Patents: 194.0708 Da
Monoisotopic Mass: 0.0
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]+	195.07808	142.3
[M+Na]+	217.06002	150.5
[M+NH4]+	212.10462	147.8
[M+K]+	233.03396	147.3
[M-H]-	193.06352	139.0
[M+Na-2H]-	215.04547	143.7
[M]+	194.07025	142.1
[M]-	194.07135	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe