CID 86767836

1245647-65-7

Structural Information

Molecular Formula

SMILES

C1=CC2=NC(=NN2C=C1I)N

InChI

InChI=1S/C6H5IN4/c7-4-1-2-5-9-6(8)10-11(5)3-4/h1-3H,(H2,8,10)

InChIKey

GGOBBEPQXQCTMC-UHFFFAOYSA-N

Compound name

6-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.9559 Da
Monoisotopic Mass: 1.0
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]+	260.96318	130.6
[M+Na]+	282.94512	135.5
[M-H]-	258.94862	125.0
[M+NH4]+	277.98972	145.7
[M+K]+	298.91906	138.1
[M+H-H2O]+	242.95316	119.8
[M+HCOO]-	304.95410	149.6
[M+CH3COO]-	318.96975	140.8
[M+Na-2H]-	280.93057	128.0
[M]+	259.95535	128.8
[M]-	259.95645	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.