CID 140428

Diethyl propylphosphonate

Structural Information

Molecular Formula

C₇H₁₇O₃P

SMILES

CCCP(=O)(OCC)OCC

InChI

InChI=1S/C7H17O3P/c1-4-7-11(8,9-5-2)10-6-3/h4-7H2,1-3H3

InChIKey

RUIKOPXSCCGLOM-UHFFFAOYSA-N

Compound name

1-diethoxyphosphorylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 425
Patents: 180.09154 Da
Monoisotopic Mass: 1.1
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]+	181.09882	143.0
[M+Na]+	203.08076	150.2
[M-H]-	179.08426	142.1
[M+NH4]+	198.12536	164.0
[M+K]+	219.05470	150.6
[M+H-H2O]+	163.08880	136.4
[M+HCOO]-	225.08974	171.0
[M+CH3COO]-	239.10539	182.7
[M+Na-2H]-	201.06621	146.7
[M]+	180.09099	149.7
[M]-	180.09209	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe