CID 10679921

Phosphonic acid, [2-(methylamino)-2-oxoethyl]-, diethyl ester

Structural Information

Molecular Formula

C₇H₁₆NO₄P

SMILES

CCOP(=O)(CC(=O)NC)OCC

InChI

InChI=1S/C7H16NO4P/c1-4-11-13(10,12-5-2)6-7(9)8-3/h4-6H2,1-3H3,(H,8,9)

InChIKey

OPVDBTSRABZMMM-UHFFFAOYSA-N

Compound name

2-diethoxyphosphoryl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 209.0817 Da
Monoisotopic Mass: -0.4
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]+	210.08898	147.6
[M+Na]+	232.07092	153.7
[M-H]-	208.07442	146.7
[M+NH4]+	227.11552	166.8
[M+K]+	248.04486	154.5
[M+H-H2O]+	192.07896	140.3
[M+HCOO]-	254.07990	176.0
[M+CH3COO]-	268.09555	188.7
[M+Na-2H]-	230.05637	150.5
[M]+	209.08115	153.3
[M]-	209.08225	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe