CID 5311916

123771-23-3

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

C1CC(CNC1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C12H15N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15)

InChIKey

LQZIJJKVPOTLRE-UHFFFAOYSA-N

Compound name

2-piperidin-3-yl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 48
Patents: 201.1266 Da
Monoisotopic Mass: 1.6
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]+	202.13388	145.4
[M+Na]+	224.11582	158.5
[M+NH4]+	219.16042	154.1
[M+K]+	240.08976	153.0
[M-H]-	200.11932	147.9
[M+Na-2H]-	222.10127	152.5
[M]+	201.12605	147.8
[M]-	201.12715	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe