CID 199791

Piperidinophosphonic acid diethyl ester

Structural Information

Molecular Formula

C₉H₂₀NO₃P

SMILES

CCOP(=O)(N1CCCCC1)OCC

InChI

InChI=1S/C9H20NO3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h3-9H2,1-2H3

InChIKey

YUGUNXGHQJDZJY-UHFFFAOYSA-N

Compound name

1-diethoxyphosphorylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 221.11809 Da
Monoisotopic Mass: 1.3
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]+	222.12537	150.8
[M+Na]+	244.10731	159.3
[M+NH4]+	239.15191	157.2
[M+K]+	260.08125	154.8
[M-H]-	220.11081	149.9
[M+Na-2H]-	242.09276	153.9
[M]+	221.11754	151.4
[M]-	221.11864	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe