CID 83885701

3-bromo-5-methyl-[1,2,4]triazolo[4,3-a]pyridine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CC1=CC=CC2=NN=C(N12)Br
InChI
InChI=1S/C7H6BrN3/c1-5-3-2-4-6-9-10-7(8)11(5)6/h2-4H,1H3
InChIKey
CSFDZNMYPPKIMH-UHFFFAOYSA-N
Compound name
3-bromo-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.9745 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 138.5
[M+Na]+ 233.96372 143.8
[M+NH4]+ 229.00832 143.6
[M+K]+ 249.93766 144.6
[M-H]- 209.96722 138.3
[M+Na-2H]- 231.94917 142.5
[M]+ 210.97395 138.0
[M]- 210.97505 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.