CID 12955622

62999-57-9

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CCC1=NNC(=S)O1
InChI
InChI=1S/C4H6N2OS/c1-2-3-5-6-4(8)7-3/h2H2,1H3,(H,6,8)
InChIKey
NPXUQNFZTVOECH-UHFFFAOYSA-N
Compound name
5-ethyl-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

130.02008 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.027356 121.4
[M+Na]+ 153.009298 132.4
[M-H]- 129.012804 122.7
[M+NH4]+ 148.053903 141.7
[M+K]+ 168.983238 130.8
[M+H-H2O]+ 113.017340 115.9
[M+HCOO]- 175.018281 138.7
[M+CH3COO]- 189.033931 165.2
[M+Na-2H]- 150.994746 125.5
[M]+ 130.01953142 123.2
[M]- 130.02062858 123.2
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