CID 11651644

668980-99-2

Structural Information

Molecular Formula

C₉H₁₀BrN₃

SMILES

CC(C)C1=NN=C2N1C=C(C=C2)Br

InChI

InChI=1S/C9H10BrN3/c1-6(2)9-12-11-8-4-3-7(10)5-13(8)9/h3-6H,1-2H3

InChIKey

CMRPBXDXBYWNPU-UHFFFAOYSA-N

Compound name

6-bromo-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 239.00581 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.013086	142.4
[M+Na]+	261.995028	157.0
[M-H]-	237.998534	146.8
[M+NH4]+	257.039633	163.3
[M+K]+	277.968968	146.0
[M+H-H2O]+	222.003070	141.7
[M+HCOO]-	284.004011	162.1
[M+CH3COO]-	298.019661	157.9
[M+Na-2H]-	259.980476	150.6
[M]+	239.00526142	163.7
[M]-	239.00635858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe