CID 102227621

1542131-27-0

Structural Information

Molecular Formula

C₁₃H₁₅N₃O

SMILES

CN1CCC(=O)CC1C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H15N3O/c1-16-7-6-9(17)8-12(16)13-14-10-4-2-3-5-11(10)15-13/h2-5,12H,6-8H2,1H3,(H,14,15)

InChIKey

FUYHSYWFKAPTKX-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.1215 Da
Monoisotopic Mass: 0.8
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]+	230.12878	152.1
[M+Na]+	252.11072	161.1
[M-H]-	228.11422	154.6
[M+NH4]+	247.15532	168.3
[M+K]+	268.08466	155.7
[M+H-H2O]+	212.11876	143.3
[M+HCOO]-	274.11970	169.4
[M+CH3COO]-	288.13535	163.6
[M+Na-2H]-	250.09617	156.1
[M]+	229.12095	149.1
[M]-	229.12205	149.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.