CID 202085

7447-45-2

Structural Information

Molecular Formula
C6H9NS3
SMILES
C1CSCC2N1C(=S)SC2
InChI
InChI=1S/C6H9NS3/c8-6-7-1-2-9-3-5(7)4-10-6/h5H,1-4H2
InChIKey
GKYPVZALDFNVAA-UHFFFAOYSA-N
Compound name
5,6,8,8a-tetrahydro-1H-[1,3]thiazolo[4,3-c][1,4]thiazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.98972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99700 134.8
[M+Na]+ 213.97894 143.2
[M-H]- 189.98244 136.6
[M+NH4]+ 209.02354 156.5
[M+K]+ 229.95288 138.7
[M+H-H2O]+ 173.98698 130.8
[M+HCOO]- 235.98792 138.0
[M+CH3COO]- 250.00357 146.3
[M+Na-2H]- 211.96439 134.2
[M]+ 190.98917 131.6
[M]- 190.99027 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.