CID 21850479

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

Structural Information

Molecular Formula
C3H4N2OS
SMILES
CC1=NC(=S)ON1
InChI
InChI=1S/C3H4N2OS/c1-2-4-3(7)6-5-2/h1H3,(H,4,5,7)
InChIKey
XCUUXCDIVKRONM-UHFFFAOYSA-N
Compound name
3-methyl-2H-1,2,4-oxadiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

116.00443 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.01171 119.8
[M+Na]+ 138.99365 131.7
[M+NH4]+ 134.03825 128.0
[M+K]+ 154.96759 126.8
[M-H]- 114.99715 121.0
[M+Na-2H]- 136.97910 124.0
[M]+ 116.00388 122.1
[M]- 116.00498 122.1
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