CID 3080588

O-demethyldimethoate

Structural Information

Molecular Formula

C₄H₁₀NO₃PS₂

SMILES

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

InChI

InChI=1S/C4H10NO3PS2/c1-5-4(6)3-11-9(7,10)8-2/h3H2,1-2H3,(H,5,6)(H,7,10)

InChIKey

XEXKOGVVDDWSQB-UHFFFAOYSA-N

Compound name

2-[hydroxy(methoxy)phosphinothioyl]sulfanyl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 1
Patents: 214.98398 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]+	215.99126	139.9
[M+Na]+	237.97320	145.7
[M-H]-	213.97670	137.3
[M+NH4]+	233.01780	158.1
[M+K]+	253.94714	142.8
[M+H-H2O]+	197.98124	131.9
[M+HCOO]-	259.98218	156.4
[M+CH3COO]-	273.99783	183.6
[M+Na-2H]-	235.95865	138.8
[M]+	214.98343	142.7
[M]-	214.98453	142.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.