CID 6327351

Phosphonic acid, dipropyl ester

Structural Information

Molecular Formula

C₆H₁₄O₃P

SMILES

CCCO[P+](=O)OCCC

InChI

InChI=1S/C6H14O3P/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3/q+1

InChIKey

CHJUOCDSZWMLRU-UHFFFAOYSA-N

Compound name

oxo(dipropoxy)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2383
Patents: 165.06805 Da
Monoisotopic Mass: 1.8
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]+	166.07533	137.5
[M+Na]+	188.05727	144.5
[M-H]-	164.06077	137.0
[M+NH4]+	183.10187	158.7
[M+K]+	204.03121	140.0
[M+H-H2O]+	148.06531	133.4
[M+HCOO]-	210.06625	166.2
[M+CH3COO]-	224.08190	173.2
[M+Na-2H]-	186.04272	142.3
[M]+	165.06750	142.3
[M]-	165.06860	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe