CID 216831

37744-85-7

Structural Information

Molecular Formula

C₉H₂₀NO₃PS₂

SMILES

CC(C)OP(=S)(OC(C)C)SCC(=O)NC

InChI

InChI=1S/C9H20NO3PS2/c1-7(2)12-14(15,13-8(3)4)16-6-9(11)10-5/h7-8H,6H2,1-5H3,(H,10,11)

InChIKey

WVJOTNPJRHZNFB-UHFFFAOYSA-N

Compound name

2-di(propan-2-yloxy)phosphinothioylsulfanyl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.06223 Da
Monoisotopic Mass: 2.6
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	161.0
[M+Na]+	308.051448	164.6
[M-H]-	284.054954	159.2
[M+NH4]+	303.096053	177.2
[M+K]+	324.025388	162.5
[M+H-H2O]+	268.059490	152.2
[M+HCOO]-	330.060431	175.5
[M+CH3COO]-	344.076081	202.4
[M+Na-2H]-	306.036896	156.5
[M]+	285.06168142	166.5
[M]-	285.06277858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.