CID 96036

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06712 140.5
[M+Na]+ 213.04906 151.1
[M+NH4]+ 208.09366 149.4
[M+K]+ 229.02300 141.0
[M-H]- 189.05256 142.0
[M+Na-2H]- 211.03451 143.4
[M]+ 190.05929 143.3
[M]- 190.06039 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe