CID 97166

Diethyl hexylphosphoramidate

Structural Information

Molecular Formula

C₁₀H₂₄NO₃P

SMILES

CCCCCCNP(=O)(OCC)OCC

InChI

InChI=1S/C10H24NO3P/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3/h4-10H2,1-3H3,(H,11,12)

InChIKey

BWMOLFZIUSUNAV-UHFFFAOYSA-N

Compound name

N-diethoxyphosphorylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 237.14938 Da
Monoisotopic Mass: 2.3
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]+	238.15666	161.0
[M+Na]+	260.13860	165.8
[M-H]-	236.14210	159.3
[M+NH4]+	255.18320	179.2
[M+K]+	276.11254	165.4
[M+H-H2O]+	220.14664	153.0
[M+HCOO]-	282.14758	188.9
[M+CH3COO]-	296.16323	196.6
[M+Na-2H]-	258.12405	163.2
[M]+	237.14883	167.8
[M]-	237.14993	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe