CID 78113

Diethyl (3-aminopropyl)phosphonate

Structural Information

Molecular Formula

C₇H₁₈NO₃P

SMILES

CCOP(=O)(CCCN)OCC

InChI

InChI=1S/C7H18NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-8H2,1-2H3

InChIKey

DQORFBNFNLHVIM-UHFFFAOYSA-N

Compound name

3-diethoxyphosphorylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 335
Patents: 195.10243 Da
Monoisotopic Mass: -0.4
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]+	196.10971	147.3
[M+Na]+	218.09165	153.4
[M-H]-	194.09515	145.7
[M+NH4]+	213.13625	166.9
[M+K]+	234.06559	153.4
[M+H-H2O]+	178.09969	139.9
[M+HCOO]-	240.10063	175.6
[M+CH3COO]-	254.11628	186.8
[M+Na-2H]-	216.07710	150.0
[M]+	195.10188	151.9
[M]-	195.10298	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe