CID 6092

N-ethyltryptamine

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CCNCCC1=CNC2=CC=CC=C21

InChI

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

InChIKey

TZWUSTVNAVKAPA-UHFFFAOYSA-N

Compound name

N-ethyl-2-(1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 297
Patents: 188.13135 Da
Monoisotopic Mass: 2.4
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]+	189.138626	140.7
[M+Na]+	211.120568	148.9
[M-H]-	187.124074	142.7
[M+NH4]+	206.165173	161.3
[M+K]+	227.094508	144.3
[M+H-H2O]+	171.128610	134.1
[M+HCOO]-	233.129551	164.7
[M+CH3COO]-	247.145201	183.5
[M+Na-2H]-	209.106016	148.3
[M]+	188.13080142	141.0
[M]-	188.13189858	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe