CID 7131929

5-(tert-butylamino)-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula
C6H11N3S2
SMILES
CC(C)(C)NC1=NNC(=S)S1
InChI
InChI=1S/C6H11N3S2/c1-6(2,3)7-4-8-9-5(10)11-4/h1-3H3,(H,7,8)(H,9,10)
InChIKey
NXNOVKHNGVDGJG-UHFFFAOYSA-N
Compound name
5-(tert-butylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

189.03944 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04672 138.7
[M+Na]+ 212.02866 148.5
[M-H]- 188.03216 139.0
[M+NH4]+ 207.07326 157.9
[M+K]+ 228.00260 143.7
[M+H-H2O]+ 172.03670 133.1
[M+HCOO]- 234.03764 149.6
[M+CH3COO]- 248.05329 178.7
[M+Na-2H]- 210.01411 139.9
[M]+ 189.03889 138.8
[M]- 189.03999 138.8
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