CID 85824524

Ethyl (2,2-diethoxyethyl)(methyl)phosphinate

Structural Information

Molecular Formula

C₉H₂₁O₄P

SMILES

CCOC(CP(=O)(C)OCC)OCC

InChI

InChI=1S/C9H21O4P/c1-5-11-9(12-6-2)8-14(4,10)13-7-3/h9H,5-8H2,1-4H3

InChIKey

QTPSWGMNNOBRAR-UHFFFAOYSA-N

Compound name

1,1-diethoxy-2-[ethoxy(methyl)phosphoryl]ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 224.11775 Da
Monoisotopic Mass: 0.3
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]+	225.125026	155.1
[M+Na]+	247.106968	161.1
[M-H]-	223.110474	153.9
[M+NH4]+	242.151573	174.2
[M+K]+	263.080908	162.0
[M+H-H2O]+	207.115010	147.9
[M+HCOO]-	269.115951	181.7
[M+CH3COO]-	283.131601	191.5
[M+Na-2H]-	245.092416	156.7
[M]+	224.11720142	163.3
[M]-	224.11829858	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe