CID 213467

De-n-methyldimethoxon

Structural Information

Molecular Formula

C₄H₁₀NO₄PS

SMILES

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

InChI

InChI=1S/C4H10NO4PS/c1-8-10(7,9-2)11-3-4(5)6/h3H2,1-2H3,(H2,5,6)

InChIKey

BAXBPBNCIQWIFW-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphorylsulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.00682 Da
Monoisotopic Mass: -1.1
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]+	200.01410	138.4
[M+Na]+	221.99604	145.2
[M-H]-	197.99954	137.3
[M+NH4]+	217.04064	157.9
[M+K]+	237.96998	145.1
[M+H-H2O]+	182.00408	130.8
[M+HCOO]-	244.00502	162.0
[M+CH3COO]-	258.02067	183.4
[M+Na-2H]-	219.98149	139.0
[M]+	199.00627	143.6
[M]-	199.00737	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.