CID 22388553

115951-60-5

Structural Information

Molecular Formula

C₈H₉N₃

SMILES

CC1=C2C(=NC=C1)N=C(N2)C

InChI

InChI=1S/C8H9N3/c1-5-3-4-9-8-7(5)10-6(2)11-8/h3-4H,1-2H3,(H,9,10,11)

InChIKey

KLRKPOJJEMOZLD-UHFFFAOYSA-N

Compound name

2,7-dimethyl-1H-imidazo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 147.07965 Da
Monoisotopic Mass: 1.5
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]+	148.08693	128.4
[M+Na]+	170.06887	143.0
[M+NH4]+	165.11347	137.0
[M+K]+	186.04281	138.1
[M-H]-	146.07237	129.3
[M+Na-2H]-	168.05432	135.5
[M]+	147.07910	130.7
[M]-	147.08020	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe