CID 13370

Dibutyl phosphoramidate

Structural Information

Molecular Formula

C₈H₂₀NO₃P

SMILES

CCCCOP(=O)(N)OCCCC

InChI

InChI=1S/C8H20NO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H2,9,10)

InChIKey

BDBZFUCZCKJSIY-UHFFFAOYSA-N

Compound name

1-[amino(butoxy)phosphoryl]oxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 209.11809 Da
Monoisotopic Mass: 1.2
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	157.7
[M-H]-	208.11081	150.2
[M+NH4]+	227.15191	171.1
[M+K]+	248.08125	157.4
[M+H-H2O]+	192.11535	144.5
[M+HCOO]-	254.11629	180.0
[M+CH3COO]-	268.13194	189.9
[M+Na-2H]-	230.09276	154.2
[M]+	209.11754	157.0
[M]-	209.11864	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe