CID 258690

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

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1=CC=C2C(=C1)C=CN2CCN

InChI

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

InChIKey

BXEFQUSYBZYTAE-UHFFFAOYSA-N

Compound name

2-indol-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 195
Patents: 160.10005 Da
Monoisotopic Mass: 1.7
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	131.9
[M+Na]+	183.08927	145.2
[M+NH4]+	178.13387	141.6
[M+K]+	199.06321	139.5
[M-H]-	159.09277	135.0
[M+Na-2H]-	181.07472	139.5
[M]+	160.09950	134.6
[M]-	160.10060	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe