CID 6484685

130516-99-3

Structural Information

Molecular Formula

C₁₁H₁₉N₃

SMILES

CC1=NC=CN1CCC2CCNCC2

InChI

InChI=1S/C11H19N3/c1-10-13-7-9-14(10)8-4-11-2-5-12-6-3-11/h7,9,11-12H,2-6,8H2,1H3

InChIKey

FPCPADMQGUJDCY-UHFFFAOYSA-N

Compound name

4-[2-(2-methylimidazol-1-yl)ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 29
Patents: 193.1579 Da
Monoisotopic Mass: 1.0
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]+	194.16518	146.8
[M+Na]+	216.14712	152.1
[M-H]-	192.15062	147.0
[M+NH4]+	211.19172	163.0
[M+K]+	232.12106	148.6
[M+H-H2O]+	176.15516	137.7
[M+HCOO]-	238.15610	163.1
[M+CH3COO]-	252.17175	157.3
[M+Na-2H]-	214.13257	149.4
[M]+	193.15735	141.3
[M]-	193.15845	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe