CID 7131156

66180-54-9

Structural Information

Molecular Formula
C6H11N3S2
SMILES
CC(C)CNC1=NNC(=S)S1
InChI
InChI=1S/C6H11N3S2/c1-4(2)3-7-5-8-9-6(10)11-5/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
PNMTZZAQALWEPL-UHFFFAOYSA-N
Compound name
5-(2-methylpropylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

189.03944 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04672 136.2
[M+Na]+ 212.02866 145.3
[M-H]- 188.03216 136.3
[M+NH4]+ 207.07326 155.1
[M+K]+ 228.00260 140.6
[M+H-H2O]+ 172.03670 130.1
[M+HCOO]- 234.03764 147.4
[M+CH3COO]- 248.05329 179.9
[M+Na-2H]- 210.01411 135.7
[M]+ 189.03889 136.3
[M]- 189.03999 136.3
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