CID 215415

35633-77-3

Structural Information

Molecular Formula

C₁₅H₂₁N₃

SMILES

C1CN(CCC1N)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C15H21N3/c16-13-6-9-18(10-7-13)8-5-12-11-17-15-4-2-1-3-14(12)15/h1-4,11,13,17H,5-10,16H2

InChIKey

OYRXLTLEMXGPPF-UHFFFAOYSA-N

Compound name

1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 243.17355 Da
Monoisotopic Mass: 2.1
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]+	244.18083	156.4
[M+Na]+	266.16277	162.6
[M-H]-	242.16627	159.0
[M+NH4]+	261.20737	172.7
[M+K]+	282.13671	156.6
[M+H-H2O]+	226.17081	147.8
[M+HCOO]-	288.17175	174.5
[M+CH3COO]-	302.18740	166.8
[M+Na-2H]-	264.14822	160.0
[M]+	243.17300	150.9
[M]-	243.17410	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe