CID 2560518

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

Structural Information

Molecular Formula
C5H6N2OS
SMILES
C1CC1C2=NNC(=S)O2
InChI
InChI=1S/C5H6N2OS/c9-5-7-6-4(8-5)3-1-2-3/h3H,1-2H2,(H,7,9)
InChIKey
MOBWRVHKGDLTHD-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

142.02008 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.027356 125.7
[M+Na]+ 165.009298 138.0
[M-H]- 141.012804 130.8
[M+NH4]+ 160.053903 140.5
[M+K]+ 180.983238 134.9
[M+H-H2O]+ 125.017340 119.1
[M+HCOO]- 187.018281 143.2
[M+CH3COO]- 201.033931 139.7
[M+Na-2H]- 162.994746 129.6
[M]+ 142.01953142 128.9
[M]- 142.02062858 128.9
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