CID 2760142

51412-74-9

Structural Information

Molecular Formula
C6H9N3OS2
SMILES
C1COCCN1C2=NNC(=S)S2
InChI
InChI=1S/C6H9N3OS2/c11-6-8-7-5(12-6)9-1-3-10-4-2-9/h1-4H2,(H,8,11)
InChIKey
CVSASYGIPVPIJG-UHFFFAOYSA-N
Compound name
5-morpholin-4-yl-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

203.0187 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02598 137.6
[M+Na]+ 226.00792 147.0
[M-H]- 202.01142 139.7
[M+NH4]+ 221.05252 153.5
[M+K]+ 241.98186 143.5
[M+H-H2O]+ 186.01596 131.4
[M+HCOO]- 248.01690 145.4
[M+CH3COO]- 262.03255 149.3
[M+Na-2H]- 223.99337 137.7
[M]+ 203.01815 135.2
[M]- 203.01925 135.2
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.