CID 13100901

2-(1h-indol-4-yl)ethanamine

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1=CC(=C2C=CNC2=C1)CCN

InChI

InChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2

InChIKey

XBARKDQKGSJDLG-UHFFFAOYSA-N

Compound name

2-(1H-indol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 160.10005 Da
Monoisotopic Mass: 1.4
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]+	161.10733	132.2
[M+Na]+	183.08927	144.9
[M+NH4]+	178.13387	141.5
[M+K]+	199.06321	139.5
[M-H]-	159.09277	134.8
[M+Na-2H]-	181.07472	139.2
[M]+	160.09950	134.6
[M]-	160.10060	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe