CID 92710

57212-78-9

Structural Information

Molecular Formula

C₅H₁₁O₅PS

SMILES

COC(=O)CSP(=O)(OC)OC

InChI

InChI=1S/C5H11O5PS/c1-8-5(6)4-12-11(7,9-2)10-3/h4H2,1-3H3

InChIKey

OMXGOZIBCJLGLU-UHFFFAOYSA-N

Compound name

methyl 2-dimethoxyphosphorylsulfanylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.00648 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]+	215.01376	144.0
[M+Na]+	236.99570	151.3
[M+NH4]+	232.04030	149.4
[M+K]+	252.96964	147.1
[M-H]-	212.99920	140.4
[M+Na-2H]-	234.98115	144.5
[M]+	214.00593	144.0
[M]-	214.00703	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.