CID 14210

Omethoate

Structural Information

Molecular Formula

C₅H₁₂NO₄PS

SMILES

CNC(=O)CSP(=O)(OC)OC

InChI

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

InChIKey

PZXOQEXFMJCDPG-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphorylsulfanyl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 163
References: 24552
Patents: 213.02246 Da
Monoisotopic Mass: -0.9
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]+	214.02974	142.8
[M+Na]+	236.01168	149.2
[M-H]-	212.01518	142.1
[M+NH4]+	231.05628	162.1
[M+K]+	251.98562	149.3
[M+H-H2O]+	196.01972	135.0
[M+HCOO]-	258.02066	166.7
[M+CH3COO]-	272.03631	186.4
[M+Na-2H]-	233.99713	143.9
[M]+	213.02191	149.3
[M]-	213.02301	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.