CID 1256162

24854-43-1

Structural Information

Molecular Formula
C3H5N3S
SMILES
CN1C=NNC1=S
InChI
InChI=1S/C3H5N3S/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7)
InChIKey
AGWWTUWTOBEQFE-UHFFFAOYSA-N
Compound name
4-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

3487
Patents

115.02042 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 120.9
[M+Na]+ 138.00964 132.7
[M+NH4]+ 133.05424 128.9
[M+K]+ 153.98358 127.1
[M-H]- 114.01314 120.5
[M+Na-2H]- 135.99509 125.6
[M]+ 115.01987 122.7
[M]- 115.02097 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe