CID 105406

((methylimino)dimethylene)diphosphonic acid, tetraethyl ester

Structural Information

Molecular Formula

C₁₁H₂₇NO₆P₂

SMILES

CCOP(=O)(CN(C)CP(=O)(OCC)OCC)OCC

InChI

InChI=1S/C11H27NO6P2/c1-6-15-19(13,16-7-2)10-12(5)11-20(14,17-8-3)18-9-4/h6-11H2,1-5H3

InChIKey

QDJFMANPABZOAK-UHFFFAOYSA-N

Compound name

1-diethoxyphosphoryl-N-(diethoxyphosphorylmethyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.13135 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]+	332.138626	187.3
[M+Na]+	354.120568	195.1
[M-H]-	330.124074	186.2
[M+NH4]+	349.165173	194.7
[M+K]+	370.094508	185.8
[M+H-H2O]+	314.128610	170.2
[M+HCOO]-	376.129551	207.0
[M+CH3COO]-	390.145201	215.9
[M+Na-2H]-	352.106016	181.6
[M]+	331.13080142	186.6
[M]-	331.13189858	186.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.