CID 16227167

129526-60-9

Structural Information

Molecular Formula
C4H6N2OS2
SMILES
CSCC1=NNC(=S)O1
InChI
InChI=1S/C4H6N2OS2/c1-9-2-3-5-6-4(8)7-3/h2H2,1H3,(H,6,8)
InChIKey
XSBNZQOVLWBDMP-UHFFFAOYSA-N
Compound name
5-(methylsulfanylmethyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.99216 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.99944 126.7
[M+Na]+ 184.98138 138.0
[M-H]- 160.98488 127.9
[M+NH4]+ 180.02598 146.0
[M+K]+ 200.95532 135.0
[M+H-H2O]+ 144.98942 121.5
[M+HCOO]- 206.99036 138.5
[M+CH3COO]- 221.00601 170.4
[M+Na-2H]- 182.96683 128.1
[M]+ 161.99161 129.3
[M]- 161.99271 129.3
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

No patent data available for this compound.