CID 17747911

828242-03-1

Structural Information

Molecular Formula

C₇H₈N₄

SMILES

C1=CC2=C(N=C1)N=C(N2)CN

InChI

InChI=1S/C7H8N4/c8-4-6-10-5-2-1-3-9-7(5)11-6/h1-3H,4,8H2,(H,9,10,11)

InChIKey

XCTNDJAFNBCVOM-UHFFFAOYSA-N

Compound name

1H-imidazo[4,5-b]pyridin-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 148.07489 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]+	149.08217	127.1
[M+Na]+	171.06411	139.9
[M+NH4]+	166.10871	135.1
[M+K]+	187.03805	135.8
[M-H]-	147.06761	127.9
[M+Na-2H]-	169.04956	133.9
[M]+	148.07434	128.9
[M]-	148.07544	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe