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

42
Patents

144.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.043016 126.4
[M+Na]+ 167.024958 136.6
[M-H]- 143.028464 127.6
[M+NH4]+ 162.069563 146.1
[M+K]+ 182.998898 135.3
[M+H-H2O]+ 127.033000 120.8
[M+HCOO]- 189.033941 142.3
[M+CH3COO]- 203.049591 169.1
[M+Na-2H]- 165.010406 128.9
[M]+ 144.03519142 128.0
[M]- 144.03628858 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