CID 283497

Diethyl [2-(dimethylamino)ethyl]phosphonate

Structural Information

Molecular Formula

C₈H₂₀NO₃P

SMILES

CCOP(=O)(CCN(C)C)OCC

InChI

InChI=1S/C8H20NO3P/c1-5-11-13(10,12-6-2)8-7-9(3)4/h5-8H2,1-4H3

InChIKey

LATBXDTUXXUDPI-UHFFFAOYSA-N

Compound name

2-diethoxyphosphoryl-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.11809 Da
Monoisotopic Mass: 0.2
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]+	210.12537	150.7
[M+Na]+	232.10731	156.7
[M-H]-	208.11081	151.1
[M+NH4]+	227.15191	170.8
[M+K]+	248.08125	158.2
[M+H-H2O]+	192.11535	143.1
[M+HCOO]-	254.11629	179.9
[M+CH3COO]-	268.13194	194.0
[M+Na-2H]-	230.09276	153.4
[M]+	209.11754	158.2
[M]-	209.11864	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe