CID 96036

14318-35-5

Structural Information

Molecular Formula

C₇H₁₄N₂S₂

SMILES

CCN1CN(C(=S)SC1)CC

InChI

InChI=1S/C7H14N2S2/c1-3-8-5-9(4-2)7(10)11-6-8/h3-6H2,1-2H3

InChIKey

OHCTUHSHPBLSJY-UHFFFAOYSA-N

Compound name

3,5-diethyl-1,3,5-thiadiazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 190.05984 Da
Monoisotopic Mass: 2.0
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]+	191.06712	137.0
[M+Na]+	213.04906	144.6
[M-H]-	189.05256	137.3
[M+NH4]+	208.09366	155.0
[M+K]+	229.02300	140.7
[M+H-H2O]+	173.05710	130.7
[M+HCOO]-	235.05804	144.5
[M+CH3COO]-	249.07369	181.9
[M+Na-2H]-	211.03451	135.9
[M]+	190.05929	135.9
[M]-	190.06039	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe