CID 62958831

5-bromo-2-(3-methyl-1h-1,2,4-triazol-5-yl)pyridine

Structural Information

Molecular Formula
C8H7BrN4
SMILES
CC1=NC(=NN1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C8H7BrN4/c1-5-11-8(13-12-5)7-3-2-6(9)4-10-7/h2-4H,1H3,(H,11,12,13)
InChIKey
JXIMENQPNOTKHN-UHFFFAOYSA-N
Compound name
5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98541 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99269 148.5
[M+Na]+ 260.97463 153.0
[M+NH4]+ 256.01923 152.2
[M+K]+ 276.94857 154.2
[M-H]- 236.97813 148.3
[M+Na-2H]- 258.96008 152.8
[M]+ 237.98486 147.8
[M]- 237.98596 147.8
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.