CID 86795

18855-52-2

Structural Information

Molecular Formula

C₁₁H₂₇NO₆P₂

SMILES

CCOP(=O)(C(N(C)C)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C11H27NO6P2/c1-7-15-19(13,16-8-2)11(12(5)6)20(14,17-9-3)18-10-4/h11H,7-10H2,1-6H3

InChIKey

SQDDGOVNJMIFFT-UHFFFAOYSA-N

Compound name

1,1-bis(diethoxyphosphoryl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 331.13135 Da
Monoisotopic Mass: 0.5
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]+	332.13863	186.6
[M+Na]+	354.12057	195.0
[M-H]-	330.12407	187.1
[M+NH4]+	349.16517	195.7
[M+K]+	370.09451	186.2
[M+H-H2O]+	314.12861	169.9
[M+HCOO]-	376.12955	204.1
[M+CH3COO]-	390.14520	216.6
[M+Na-2H]-	352.10602	180.1
[M]+	331.13080	186.1
[M]-	331.13190	186.1

Literature stripe

literature stripe

Patent stripe

patents stripe