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

70
Patents

130.02008 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02736 121.4
[M+Na]+ 153.00930 132.4
[M-H]- 129.01280 122.7
[M+NH4]+ 148.05390 141.7
[M+K]+ 168.98324 130.8
[M+H-H2O]+ 113.01734 115.9
[M+HCOO]- 175.01828 138.7
[M+CH3COO]- 189.03393 165.2
[M+Na-2H]- 150.99475 125.5
[M]+ 130.01953 123.2
[M]- 130.02063 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