CID 95712

Diethyl methylamidophosphate

Structural Information

Molecular Formula

C₅H₁₄NO₃P

SMILES

CCOP(=O)(NC)OCC

InChI

InChI=1S/C5H14NO3P/c1-4-8-10(7,6-3)9-5-2/h4-5H2,1-3H3,(H,6,7)

InChIKey

SQWJXFWCAVVZGI-UHFFFAOYSA-N

Compound name

N-diethoxyphosphorylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 167.07114 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]+	168.07842	137.2
[M+Na]+	190.06036	144.2
[M-H]-	166.06386	136.5
[M+NH4]+	185.10496	158.2
[M+K]+	206.03430	145.0
[M+H-H2O]+	150.06840	130.3
[M+HCOO]-	212.06934	166.8
[M+CH3COO]-	226.08499	181.4
[M+Na-2H]-	188.04581	142.1
[M]+	167.07059	142.2
[M]-	167.07169	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe