CID 2386025

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

Structural Information

Molecular Formula
C6H11N3S2
SMILES
CCCCNC1=NNC(=S)S1
InChI
InChI=1S/C6H11N3S2/c1-2-3-4-7-5-8-9-6(10)11-5/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKey
MXBSQYAEYDLSGO-UHFFFAOYSA-N
Compound name
5-(butylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.03944 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04672 135.3
[M+Na]+ 212.02866 144.9
[M-H]- 188.03216 135.3
[M+NH4]+ 207.07326 154.4
[M+K]+ 228.00260 139.7
[M+H-H2O]+ 172.03670 129.2
[M+HCOO]- 234.03764 147.7
[M+CH3COO]- 248.05329 179.1
[M+Na-2H]- 210.01411 135.9
[M]+ 189.03889 136.1
[M]- 189.03999 136.1
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

patents stripe