CID 67625

Cyloone

Structural Information

Molecular Formula

C₇H₁₄NO₂PS₃

SMILES

CCOP(=S)(N=C1SCCS1)OCC

InChI

InChI=1S/C7H14NO2PS3/c1-3-9-11(12,10-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3

InChIKey

YWITZONHXPIYDK-UHFFFAOYSA-N

Compound name

N-diethoxyphosphinothioyl-1,3-dithiolan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 270.99243 Da
Monoisotopic Mass: 3.6
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]+	271.99971	151.8
[M+Na]+	293.98165	157.3
[M+NH4]+	289.02625	159.7
[M+K]+	309.95559	149.5
[M-H]-	269.98515	152.5
[M+Na-2H]-	291.96710	152.9
[M]+	270.99188	153.8
[M]-	270.99298	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe