CID 743345

127040-62-4

Structural Information

Molecular Formula

C₁₀H₁₆N₂OS₂

SMILES

C1CC(=S)N(C1)CC(=S)N2CCOCC2

InChI

InChI=1S/C10H16N2OS2/c14-9-2-1-3-12(9)8-10(15)11-4-6-13-7-5-11/h1-8H2

InChIKey

KRKCDFNOMHMFSK-UHFFFAOYSA-N

Compound name

1-(2-morpholin-4-yl-2-sulfanylideneethyl)pyrrolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 244.0704 Da
Monoisotopic Mass: 0.1
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]+	245.07768	153.7
[M+Na]+	267.05962	159.4
[M-H]-	243.06312	157.1
[M+NH4]+	262.10422	169.6
[M+K]+	283.03356	156.6
[M+H-H2O]+	227.06766	147.3
[M+HCOO]-	289.06860	159.1
[M+CH3COO]-	303.08425	163.7
[M+Na-2H]-	265.04507	149.9
[M]+	244.06985	149.9
[M]-	244.07095	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.