CID 62690290

2093718-99-9

Structural Information

Molecular Formula

C₁₂H₁₆N₄

SMILES

C1CC(CNC1)CC2=NN=C3N2C=CC=C3

InChI

InChI=1S/C12H16N4/c1-2-7-16-11(5-1)14-15-12(16)8-10-4-3-6-13-9-10/h1-2,5,7,10,13H,3-4,6,8-9H2

InChIKey

SFVJAVLMNPHPFP-UHFFFAOYSA-N

Compound name

3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 216.1375 Da
Monoisotopic Mass: 1.8
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	149.1
[M+Na]+	239.12672	156.4
[M-H]-	215.13022	149.3
[M+NH4]+	234.17132	163.8
[M+K]+	255.10066	151.2
[M+H-H2O]+	199.13476	138.9
[M+HCOO]-	261.13570	164.9
[M+CH3COO]-	275.15135	159.5
[M+Na-2H]-	237.11217	154.9
[M]+	216.13695	144.7
[M]-	216.13805	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe