CID 659750

5-(3-pyridyl)-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C7H5N3OS
SMILES
C1=CC(=CN=C1)C2=NNC(=S)O2
InChI
InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-2-1-3-8-4-5/h1-4H,(H,10,12)
InChIKey
QBLWWQDTKCIRSW-UHFFFAOYSA-N
Compound name
5-pyridin-3-yl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

54
Patents

179.01534 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02262 132.6
[M+Na]+ 202.00456 144.2
[M-H]- 178.00806 135.9
[M+NH4]+ 197.04916 149.3
[M+K]+ 217.97850 140.8
[M+H-H2O]+ 162.01260 125.5
[M+HCOO]- 224.01354 149.4
[M+CH3COO]- 238.02919 146.3
[M+Na-2H]- 199.99001 137.4
[M]+ 179.01479 133.7
[M]- 179.01589 133.7
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