CID 37796

Indole, 3-(2-(methylamino)ethyl)-1-methyl-

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CNCCC1=CN(C2=CC=CC=C21)C

InChI

InChI=1S/C12H16N2/c1-13-8-7-10-9-14(2)12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3

InChIKey

XUCUSHRCIKFRCK-UHFFFAOYSA-N

Compound name

N-methyl-2-(1-methylindol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 35
Patents: 188.13135 Da
Monoisotopic Mass: 1.8
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]+	189.13863	140.9
[M+Na]+	211.12057	154.4
[M+NH4]+	206.16517	150.4
[M+K]+	227.09451	148.2
[M-H]-	187.12407	144.2
[M+Na-2H]-	209.10602	148.2
[M]+	188.13080	143.8
[M]-	188.13190	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe