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

24
Patents

158.05139 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05867 131.9
[M+Na]+ 181.04061 142.4
[M-H]- 157.04411 133.2
[M+NH4]+ 176.08521 151.2
[M+K]+ 197.01455 140.8
[M+H-H2O]+ 141.04865 126.7
[M+HCOO]- 203.04959 147.0
[M+CH3COO]- 217.06524 170.9
[M+Na-2H]- 179.02606 135.7
[M]+ 158.05084 133.8
[M]- 158.05194 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