CID 44725406

5-(piperidin-1-yl)-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula
C7H11N3S2
SMILES
C1CCN(CC1)C2=NNC(=S)S2
InChI
InChI=1S/C7H11N3S2/c11-7-9-8-6(12-7)10-4-2-1-3-5-10/h1-5H2,(H,9,11)
InChIKey
NXYCCXNQSGLOHM-UHFFFAOYSA-N
Compound name
5-piperidin-1-yl-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.03944 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04672 138.8
[M+Na]+ 224.02866 147.8
[M-H]- 200.03216 140.1
[M+NH4]+ 219.07326 156.1
[M+K]+ 240.00260 142.7
[M+H-H2O]+ 184.03670 132.4
[M+HCOO]- 246.03764 146.7
[M+CH3COO]- 260.05329 150.1
[M+Na-2H]- 222.01411 137.9
[M]+ 201.03889 135.1
[M]- 201.03999 135.1
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