CID 76866

Isodimethoate

Structural Information

Molecular Formula

C₅H₁₂NO₃PS₂

SMILES

CNC(=O)CSP(=O)(OC)SC

InChI

InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(8,9-2)11-3/h4H2,1-3H3,(H,6,7)

InChIKey

IRZFDJFTOCCEPS-UHFFFAOYSA-N

Compound name

2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 228.99962 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]+	230.00690	143.7
[M+Na]+	251.98884	149.7
[M-H]-	227.99234	142.6
[M+NH4]+	247.03344	162.3
[M+K]+	267.96278	147.5
[M+H-H2O]+	211.99688	135.4
[M+HCOO]-	273.99782	161.6
[M+CH3COO]-	288.01347	189.1
[M+Na-2H]-	249.97429	142.7
[M]+	228.99907	148.9
[M]-	229.00017	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe