CID 30858

Monoethyl propylphosphonate

Structural Information

Molecular Formula

C₅H₁₃O₃P

SMILES

CCCP(=O)(O)OCC

InChI

InChI=1S/C5H13O3P/c1-3-5-9(6,7)8-4-2/h3-5H2,1-2H3,(H,6,7)

InChIKey

FJDJZPWIPLUDIZ-UHFFFAOYSA-N

Compound name

ethoxy(propyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 152.06023 Da
Monoisotopic Mass: 0.2
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]+	153.06751	132.3
[M+Na]+	175.04945	141.1
[M+NH4]+	170.09405	138.7
[M+K]+	191.02339	137.4
[M-H]-	151.05295	129.6
[M+Na-2H]-	173.03490	134.5
[M]+	152.05968	132.4
[M]-	152.06078	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe