CID 16227271

5-(propan-2-yl)-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CC(C)C1=NNC(=S)O1
InChI
InChI=1S/C5H8N2OS/c1-3(2)4-6-7-5(9)8-4/h3H,1-2H3,(H,7,9)
InChIKey
QJMUBNJXCDAJOA-UHFFFAOYSA-N
Compound name
5-propan-2-yl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

144.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 126.4
[M+Na]+ 167.02496 136.6
[M-H]- 143.02846 127.6
[M+NH4]+ 162.06956 146.1
[M+K]+ 182.99890 135.3
[M+H-H2O]+ 127.03300 120.8
[M+HCOO]- 189.03394 142.3
[M+CH3COO]- 203.04959 169.1
[M+Na-2H]- 165.01041 128.9
[M]+ 144.03519 128.0
[M]- 144.03629 128.0
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