CID 199879

5191-35-5

Structural Information

Molecular Formula

C₈H₁₉O₄P

SMILES

CCOCCP(=O)(OCC)OCC

InChI

InChI=1S/C8H19O4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h4-8H2,1-3H3

InChIKey

JNZRUWKRHMAGTE-UHFFFAOYSA-N

Compound name

1-diethoxyphosphoryl-2-ethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 210.1021 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]+	211.10938	150.3
[M+Na]+	233.09132	156.9
[M-H]-	209.09482	149.1
[M+NH4]+	228.13592	169.9
[M+K]+	249.06526	157.6
[M+H-H2O]+	193.09936	143.1
[M+HCOO]-	255.10030	178.2
[M+CH3COO]-	269.11595	187.7
[M+Na-2H]-	231.07677	153.6
[M]+	210.10155	158.8
[M]-	210.10265	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe