CID 37796

37637-29-9

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]+	189.138626	140.6
[M+Na]+	211.120568	150.3
[M-H]-	187.124074	144.4
[M+NH4]+	206.165173	162.3
[M+K]+	227.094508	146.6
[M+H-H2O]+	171.128610	134.0
[M+HCOO]-	233.129551	166.1
[M+CH3COO]-	247.145201	187.2
[M+Na-2H]-	209.106016	147.9
[M]+	188.13080142	143.2
[M]-	188.13189858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe