CID 11172250

1158785-32-0

Structural Information

Molecular Formula

C₁₄H₁₉N₃

SMILES

C1CN(CCC1N)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C14H19N3/c15-12-5-7-17(8-6-12)10-11-9-16-14-4-2-1-3-13(11)14/h1-4,9,12,16H,5-8,10,15H2

InChIKey

VKEURNDOWDDXJE-UHFFFAOYSA-N

Compound name

1-(1H-indol-3-ylmethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 229.1579 Da
Monoisotopic Mass: 1.4
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]+	230.165176	152.0
[M+Na]+	252.147118	158.6
[M-H]-	228.150624	154.7
[M+NH4]+	247.191723	168.9
[M+K]+	268.121058	152.8
[M+H-H2O]+	212.155160	143.5
[M+HCOO]-	274.156101	170.4
[M+CH3COO]-	288.171751	162.8
[M+Na-2H]-	250.132566	156.0
[M]+	229.15735142	146.2
[M]-	229.15844858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe