CID 12685

Diethyl methylphosphonate

Structural Information

Molecular Formula

C₅H₁₃O₃P

SMILES

CCOP(=O)(C)OCC

InChI

InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3

InChIKey

NYYLZXREFNYPKB-UHFFFAOYSA-N

Compound name

1-[ethoxy(methyl)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 38
References: 3564
Patents: 152.06023 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]+	153.06751	131.6
[M+Na]+	175.04945	141.0
[M+NH4]+	170.09405	138.5
[M+K]+	191.02339	137.0
[M-H]-	151.05295	129.5
[M+Na-2H]-	173.03490	134.5
[M]+	152.05968	132.1
[M]-	152.06078	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe