CID 783770

Schembl7432974

Structural Information

Molecular Formula

C₆H₁₀N₂OS₂

SMILES

C1COCCN1C(=S)C(=S)N

InChI

InChI=1S/C6H10N2OS2/c7-5(10)6(11)8-1-3-9-4-2-8/h1-4H2,(H2,7,10)

InChIKey

WHVYLXZCRIJQAC-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-2-sulfanylideneethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 190.02345 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]+	191.03073	138.0
[M+Na]+	213.01267	143.2
[M-H]-	189.01617	139.4
[M+NH4]+	208.05727	154.7
[M+K]+	228.98661	140.6
[M+H-H2O]+	173.02071	131.8
[M+HCOO]-	235.02165	145.0
[M+CH3COO]-	249.03730	179.6
[M+Na-2H]-	210.99812	137.4
[M]+	190.02290	133.4
[M]-	190.02400	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe