CID 3067718

16176-75-3

Structural Information

Molecular Formula

C₁₃H₁₆N₂

SMILES

C1CC(CNC1)C2=C3C=CNC3=CC=C2

InChI

InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2

InChIKey

JWMGZQMVMZBMFM-UHFFFAOYSA-N

Compound name

4-piperidin-3-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 200.13135 Da
Monoisotopic Mass: 2.2
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]+	201.138626	144.2
[M+Na]+	223.120568	150.7
[M-H]-	199.124074	145.9
[M+NH4]+	218.165173	161.8
[M+K]+	239.094508	144.7
[M+H-H2O]+	183.128610	136.3
[M+HCOO]-	245.129551	161.0
[M+CH3COO]-	259.145201	155.2
[M+Na-2H]-	221.106016	149.4
[M]+	200.13080142	137.4
[M]-	200.13189858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe