CID 3000861

345631-78-9

Structural Information

Molecular Formula
C7H5N3OS
SMILES
C1=CC(=CN=C1)C2=NC(=S)ON2
InChI
InChI=1S/C7H5N3OS/c12-7-9-6(10-11-7)5-2-1-3-8-4-5/h1-4H,(H,9,10,12)
InChIKey
FYNBWTWYAPOXGP-UHFFFAOYSA-N
Compound name
3-pyridin-3-yl-2H-1,2,4-oxadiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.