CID 2825042

34955-23-2

Structural Information

Molecular Formula
C8H8N4S
SMILES
CN1C(=NNC1=S)C2=CC=CC=N2
InChI
InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-4-2-3-5-9-6/h2-5H,1H3,(H,11,13)
InChIKey
GBDMGESUVCCARA-UHFFFAOYSA-N
Compound name
4-methyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

78
Patents

192.04697 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.054246 138.7
[M+Na]+ 215.036188 150.7
[M-H]- 191.039694 140.1
[M+NH4]+ 210.080793 155.1
[M+K]+ 231.010128 145.4
[M+H-H2O]+ 175.044230 130.9
[M+HCOO]- 237.045171 154.4
[M+CH3COO]- 251.060821 151.5
[M+Na-2H]- 213.021636 141.5
[M]+ 192.04642142 139.1
[M]- 192.04751858 139.1
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