CID 560193

Vamidothion

Structural Information

Molecular Formula

C₈H₁₈NO₄PS₂

SMILES

CC(C(=O)NC)SCCSP(=O)(OC)OC

InChI

InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)

InChIKey

LESVOLZBIFDZGS-UHFFFAOYSA-N

Compound name

2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 6
References: 21258
Patents: 287.04147 Da
Monoisotopic Mass: 0.3
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]+	288.04875	159.7
[M+Na]+	310.03069	163.7
[M-H]-	286.03419	157.9
[M+NH4]+	305.07529	175.7
[M+K]+	326.00463	161.8
[M+H-H2O]+	270.03873	150.7
[M+HCOO]-	332.03967	175.8
[M+CH3COO]-	346.05532	200.7
[M+Na-2H]-	308.01614	156.9
[M]+	287.04092	166.7
[M]-	287.04202	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe