CID 13393053

5-tert-butyl-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C6H10N2OS
SMILES
CC(C)(C)C1=NNC(=S)O1
InChI
InChI=1S/C6H10N2OS/c1-6(2,3)4-7-8-5(10)9-4/h1-3H3,(H,8,10)
InChIKey
WJRXCTKOHPZBDN-UHFFFAOYSA-N
Compound name
5-tert-butyl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

158.05139 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.058666 131.9
[M+Na]+ 181.040608 142.4
[M-H]- 157.044114 133.2
[M+NH4]+ 176.085213 151.2
[M+K]+ 197.014548 140.8
[M+H-H2O]+ 141.048650 126.7
[M+HCOO]- 203.049591 147.0
[M+CH3COO]- 217.065241 170.9
[M+Na-2H]- 179.026056 135.7
[M]+ 158.05084142 133.8
[M]- 158.05193858 133.8
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