CID 13627346

5-propyl-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CCCC1=NNC(=S)O1
InChI
InChI=1S/C5H8N2OS/c1-2-3-4-6-7-5(9)8-4/h2-3H2,1H3,(H,7,9)
InChIKey
JEBLNEZCHGZGNM-UHFFFAOYSA-N
Compound name
5-propyl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

144.03574 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 128.5
[M+Na]+ 167.02496 140.0
[M+NH4]+ 162.06956 136.4
[M+K]+ 182.99890 134.6
[M-H]- 143.02846 129.7
[M+Na-2H]- 165.01041 132.3
[M]+ 144.03519 130.8
[M]- 144.03629 130.8
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