CID 136124946

53065-40-0

Structural Information

Molecular Formula
C3H5N3OS
SMILES
CSC1=NNC(=O)N1
InChI
InChI=1S/C3H5N3OS/c1-8-3-4-2(7)5-6-3/h1H3,(H2,4,5,6,7)
InChIKey
LCOUXYHXWICRMU-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

131.01534 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02262 122.4
[M+Na]+ 154.00456 133.3
[M-H]- 130.00806 120.4
[M+NH4]+ 149.04916 141.8
[M+K]+ 169.97850 130.0
[M+H-H2O]+ 114.01260 116.4
[M+HCOO]- 176.01354 138.0
[M+CH3COO]- 190.02919 162.6
[M+Na-2H]- 151.99001 125.6
[M]+ 131.01479 122.0
[M]- 131.01589 122.0
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