CID 11971500

Pyridine, 2-((5-methyl-1h-1,2,4-triazol-3-yl)thio)-, hydrobromide

Structural Information

Molecular Formula
C8H8N4S
SMILES
CC1=NC(=NN1)SC2=CC=CC=N2
InChI
InChI=1S/C8H8N4S/c1-6-10-8(12-11-6)13-7-4-2-3-5-9-7/h2-5H,1H3,(H,10,11,12)
InChIKey
TVKSZZQVXBGWFK-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04697 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05425 138.1
[M+Na]+ 215.03619 149.0
[M-H]- 191.03969 139.2
[M+NH4]+ 210.08079 154.3
[M+K]+ 231.01013 144.4
[M+H-H2O]+ 175.04423 130.0
[M+HCOO]- 237.04517 153.7
[M+CH3COO]- 251.06082 150.6
[M+Na-2H]- 213.02164 141.8
[M]+ 192.04642 138.8
[M]- 192.04752 138.8
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

No patent data available for this compound.