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

1
Patents

201.03944 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.046716 138.8
[M+Na]+ 224.028658 147.8
[M-H]- 200.032164 140.1
[M+NH4]+ 219.073263 156.1
[M+K]+ 240.002598 142.7
[M+H-H2O]+ 184.036700 132.4
[M+HCOO]- 246.037641 146.7
[M+CH3COO]- 260.053291 150.1
[M+Na-2H]- 222.014106 137.9
[M]+ 201.03889142 135.1
[M]- 201.03998858 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