CID 21454

5355-42-0

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

C1CCN(CC1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C14H18N2/c1-4-8-16(9-5-1)11-12-10-15-14-7-3-2-6-13(12)14/h2-3,6-7,10,15H,1,4-5,8-9,11H2

InChIKey

HPKXPFRRVVWAPD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 26
Patents: 214.147 Da
Monoisotopic Mass: 2.6
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]+	215.154276	148.6
[M+Na]+	237.136218	155.0
[M-H]-	213.139724	151.4
[M+NH4]+	232.180823	166.3
[M+K]+	253.110158	149.7
[M+H-H2O]+	197.144260	140.0
[M+HCOO]-	259.145201	166.6
[M+CH3COO]-	273.160851	159.8
[M+Na-2H]-	235.121666	153.6
[M]+	214.14645142	143.8
[M]-	214.14754858	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe