CID 216830

37744-84-6

Structural Information

Molecular Formula

C₉H₂₀NO₃PS₂

SMILES

CCCOP(=S)(OCCC)SCC(=O)NC

InChI

InChI=1S/C9H20NO3PS2/c1-4-6-12-14(15,13-7-5-2)16-8-9(11)10-3/h4-8H2,1-3H3,(H,10,11)

InChIKey

VLXQHTBLCNCEFV-UHFFFAOYSA-N

Compound name

2-dipropoxyphosphinothioylsulfanyl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.06223 Da
Monoisotopic Mass: 2.8
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]+	286.069506	161.1
[M+Na]+	308.051448	165.3
[M-H]-	284.054954	159.2
[M+NH4]+	303.096053	177.4
[M+K]+	324.025388	162.2
[M+H-H2O]+	268.059490	152.0
[M+HCOO]-	330.060431	177.7
[M+CH3COO]-	344.076081	200.9
[M+Na-2H]-	306.036896	158.4
[M]+	285.06168142	167.7
[M]-	285.06277858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.