CID 66545130

1379527-04-4

Structural Information

Molecular Formula

C₁₂H₁₆N₄

SMILES

CC1=NC2=C(N1C3CCNCC3)C=CC=N2

InChI

InChI=1S/C12H16N4/c1-9-15-12-11(3-2-6-14-12)16(9)10-4-7-13-8-5-10/h2-3,6,10,13H,4-5,7-8H2,1H3

InChIKey

BBHWLVWMLAYILJ-UHFFFAOYSA-N

Compound name

2-methyl-1-piperidin-4-ylimidazo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.1375 Da
Monoisotopic Mass: 1.1
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]+	217.14478	149.5
[M+Na]+	239.12672	163.3
[M+NH4]+	234.17132	157.7
[M+K]+	255.10066	157.9
[M-H]-	215.13022	151.7
[M+Na-2H]-	237.11217	156.5
[M]+	216.13695	152.0
[M]-	216.13805	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe