CID 10327359

77429-59-5

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

CN1C=CN=C1C2=CC=CC=N2

InChI

InChI=1S/C9H9N3/c1-12-7-6-11-9(12)8-4-2-3-5-10-8/h2-7H,1H3

InChIKey

RANAVWQXXHJSQN-UHFFFAOYSA-N

Compound name

2-(1-methylimidazol-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 159.07965 Da
Monoisotopic Mass: 0.6
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]+	160.08693	131.4
[M+Na]+	182.06887	141.3
[M-H]-	158.07237	134.6
[M+NH4]+	177.11347	150.0
[M+K]+	198.04281	138.4
[M+H-H2O]+	142.07691	122.8
[M+HCOO]-	204.07785	154.3
[M+CH3COO]-	218.09350	145.3
[M+Na-2H]-	180.05432	138.8
[M]+	159.07910	131.5
[M]-	159.08020	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe