CID 105706

Diethyl dibutylphosphoramidate

Structural Information

Molecular Formula

C₁₂H₂₈NO₃P

SMILES

CCCCN(CCCC)P(=O)(OCC)OCC

InChI

InChI=1S/C12H28NO3P/c1-5-9-11-13(12-10-6-2)17(14,15-7-3)16-8-4/h5-12H2,1-4H3

InChIKey

BSZXIHSHPYRELV-UHFFFAOYSA-N

Compound name

N-butyl-N-diethoxyphosphorylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 265.1807 Da
Monoisotopic Mass: 2.9
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]+	266.18798	169.9
[M+Na]+	288.16992	174.2
[M-H]-	264.17342	169.5
[M+NH4]+	283.21452	187.8
[M+K]+	304.14386	174.7
[M+H-H2O]+	248.17796	161.5
[M+HCOO]-	310.17890	197.8
[M+CH3COO]-	324.19455	206.1
[M+Na-2H]-	286.15537	170.5
[M]+	265.18015	178.9
[M]-	265.18125	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe