CID 3041612

(methoxyacetyl)phosphoramidothioic acid o,s-dimethyl ester

Structural Information

Molecular Formula

C₅H₁₂NO₄PS

SMILES

COCC(=O)NP(=O)(OC)SC

InChI

InChI=1S/C5H12NO4PS/c1-9-4-5(7)6-11(8,10-2)12-3/h4H2,1-3H3,(H,6,7,8)

InChIKey

ONGQFSMBGBCMGY-UHFFFAOYSA-N

Compound name

2-methoxy-N-[methoxy(methylsulfanyl)phosphoryl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.02246 Da
Monoisotopic Mass: -1.0
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]+	214.029736	142.8
[M+Na]+	236.011678	149.2
[M-H]-	212.015184	142.1
[M+NH4]+	231.056283	162.1
[M+K]+	251.985618	149.3
[M+H-H2O]+	196.019720	135.0
[M+HCOO]-	258.020661	166.7
[M+CH3COO]-	272.036311	186.4
[M+Na-2H]-	233.997126	143.9
[M]+	213.02191142	149.3
[M]-	213.02300858	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.