CID 169561

Diethoxon

Structural Information

Molecular Formula

C₇H₁₆NO₄PS

SMILES

CCOP(=O)(OCC)SCC(=O)NC

InChI

InChI=1S/C7H16NO4PS/c1-4-11-13(10,12-5-2)14-6-7(9)8-3/h4-6H2,1-3H3,(H,8,9)

InChIKey

OJPQLLQKUGGNGM-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylsulfanyl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.05377 Da
Monoisotopic Mass: 0.0
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]+	242.061046	152.0
[M+Na]+	264.042988	157.6
[M-H]-	240.046494	151.0
[M+NH4]+	259.087593	170.2
[M+K]+	280.016928	157.2
[M+H-H2O]+	224.051030	143.9
[M+HCOO]-	286.051971	175.3
[M+CH3COO]-	300.067621	192.4
[M+Na-2H]-	262.028436	152.2
[M]+	241.05322142	159.3
[M]-	241.05431858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.