CID 199099

De-n-methyldimethoate

Structural Information

Molecular Formula

C₄H₁₀NO₃PS₂

SMILES

COP(=S)(OC)SCC(=O)N

InChI

InChI=1S/C4H10NO3PS2/c1-7-9(10,8-2)11-3-4(5)6/h3H2,1-2H3,(H2,5,6)

InChIKey

GTMNIILYQLWCIB-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphinothioylsulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 214.98398 Da
Monoisotopic Mass: 0.4
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	139.5
[M+Na]+	237.97320	145.8
[M-H]-	213.97670	137.9
[M+NH4]+	233.01780	158.2
[M+K]+	253.94714	143.4
[M+H-H2O]+	197.98124	131.4
[M+HCOO]-	259.98218	157.0
[M+CH3COO]-	273.99783	186.1
[M+Na-2H]-	235.95865	138.0
[M]+	214.98343	143.4
[M]-	214.98453	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe