CID 52202456

2-(7-ethyl-1h-indol-3-yl)ethan-1-amine

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CCC1=C2C(=CC=C1)C(=CN2)CCN

InChI

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

InChIKey

ADQYTLRLWUZVET-UHFFFAOYSA-N

Compound name

2-(7-ethyl-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 188.13135 Da
Monoisotopic Mass: 2.2
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	141.4
[M+Na]+	211.12057	150.6
[M-H]-	187.12407	143.3
[M+NH4]+	206.16517	162.1
[M+K]+	227.09451	145.7
[M+H-H2O]+	171.12861	135.1
[M+HCOO]-	233.12955	164.8
[M+CH3COO]-	247.14520	184.0
[M+Na-2H]-	209.10602	147.2
[M]+	188.13080	141.1
[M]-	188.13190	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe