CID 3803233

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

Structural Information

Molecular Formula
C8H12N2OS
SMILES
C1CCC(CC1)C2=NNC(=S)O2
InChI
InChI=1S/C8H12N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,10,12)
InChIKey
ONBUSMDUKULCRC-UHFFFAOYSA-N
Compound name
5-cyclohexyl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

3
Patents

184.06703 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 137.5
[M+Na]+ 207.056248 145.2
[M-H]- 183.059754 140.8
[M+NH4]+ 202.100853 155.0
[M+K]+ 223.030188 142.7
[M+H-H2O]+ 167.064290 130.8
[M+HCOO]- 229.065231 150.9
[M+CH3COO]- 243.080881 149.7
[M+Na-2H]- 205.041696 139.2
[M]+ 184.06648142 134.2
[M]- 184.06757858 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe