CID 81944

Dibutyl ((diethylamino)carbonyl)phosphonate

Structural Information

Molecular Formula

C₁₃H₂₈NO₄P

SMILES

CCCCOP(=O)(C(=O)N(CC)CC)OCCCC

InChI

InChI=1S/C13H28NO4P/c1-5-9-11-17-19(16,18-12-10-6-2)13(15)14(7-3)8-4/h5-12H2,1-4H3

InChIKey

VIZPJAFCJKGFQB-UHFFFAOYSA-N

Compound name

1-dibutoxyphosphoryl-N,N-diethylformamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 293.1756 Da
Monoisotopic Mass: 2.5
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]+	294.18288	175.3
[M+Na]+	316.16482	179.2
[M-H]-	292.16832	174.9
[M+NH4]+	311.20942	191.9
[M+K]+	332.13876	179.9
[M+H-H2O]+	276.17286	166.8
[M+HCOO]-	338.17380	202.3
[M+CH3COO]-	352.18945	210.2
[M+Na-2H]-	314.15027	174.5
[M]+	293.17505	184.7
[M]-	293.17615	184.7

Literature stripe

literature stripe

Patent stripe

patents stripe