CID 521983

Dimethyl ethylphosphonate

Structural Information

Molecular Formula

C₄H₁₁O₃P

SMILES

CCP(=O)(OC)OC

InChI

InChI=1S/C4H11O3P/c1-4-8(5,6-2)7-3/h4H2,1-3H3

InChIKey

YHQMSHVVGOSZEW-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1221
Patents: 138.04459 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]+	139.05187	128.4
[M+Na]+	161.03381	136.8
[M-H]-	137.03731	128.1
[M+NH4]+	156.07841	151.1
[M+K]+	177.00775	138.1
[M+H-H2O]+	121.04185	122.4
[M+HCOO]-	183.04279	157.4
[M+CH3COO]-	197.05844	173.5
[M+Na-2H]-	159.01926	133.8
[M]+	138.04404	134.0
[M]-	138.04514	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe