CID 18671441

1215739-41-5

Structural Information

Molecular Formula

C₉H₁₂N₄

SMILES

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

InChI

InChI=1S/C9H12N4/c10-5-1-4-8-12-7-3-2-6-11-9(7)13-8/h2-3,6H,1,4-5,10H2,(H,11,12,13)

InChIKey

DPYVQLWNTYSHEW-UHFFFAOYSA-N

Compound name

3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 176.1062 Da
Monoisotopic Mass: 0.2
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]+	177.11348	136.3
[M+Na]+	199.09542	145.9
[M-H]-	175.09892	135.5
[M+NH4]+	194.14002	154.4
[M+K]+	215.06936	141.4
[M+H-H2O]+	159.10346	128.4
[M+HCOO]-	221.10440	158.0
[M+CH3COO]-	235.12005	148.8
[M+Na-2H]-	197.08087	144.4
[M]+	176.10565	135.6
[M]-	176.10675	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe