CID 21347

Indole, 3-(3-piperidylmethyl)-

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

C1CC(CNC1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C14H18N2/c1-2-6-14-13(5-1)12(10-16-14)8-11-4-3-7-15-9-11/h1-2,5-6,10-11,15-16H,3-4,7-9H2

InChIKey

ZPDWYCFLVVDESE-UHFFFAOYSA-N

Compound name

3-(piperidin-3-ylmethyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.147 Da
Monoisotopic Mass: 2.8
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]+	215.154276	148.7
[M+Na]+	237.136218	154.8
[M-H]-	213.139724	150.2
[M+NH4]+	232.180823	165.7
[M+K]+	253.110158	148.5
[M+H-H2O]+	197.144260	140.5
[M+HCOO]-	259.145201	165.2
[M+CH3COO]-	273.160851	159.2
[M+Na-2H]-	235.121666	153.4
[M]+	214.14645142	142.2
[M]-	214.14754858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.