CID 264993

Diethyl tert.-butylamidophosphate

Structural Information

Molecular Formula

C₈H₂₀NO₃P

SMILES

CCOP(=O)(NC(C)(C)C)OCC

InChI

InChI=1S/C8H20NO3P/c1-6-11-13(10,12-7-2)9-8(3,4)5/h6-7H2,1-5H3,(H,9,10)

InChIKey

SYJKDPHZCNVQRY-UHFFFAOYSA-N

Compound name

N-diethoxyphosphoryl-2-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 209.11809 Da
Monoisotopic Mass: 1.0
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]+	210.12537	152.0
[M+Na]+	232.10731	158.2
[M-H]-	208.11081	151.2
[M+NH4]+	227.15191	171.6
[M+K]+	248.08125	158.8
[M+H-H2O]+	192.11535	145.3
[M+HCOO]-	254.11629	179.1
[M+CH3COO]-	268.13194	190.3
[M+Na-2H]-	230.09276	156.5
[M]+	209.11754	157.5
[M]-	209.11864	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe