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: 265
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]+	161.107326	131.5
[M+Na]+	183.089268	141.1
[M-H]-	159.092774	134.8
[M+NH4]+	178.133873	153.8
[M+K]+	199.063208	137.6
[M+H-H2O]+	143.097310	125.1
[M+HCOO]-	205.098251	157.1
[M+CH3COO]-	219.113901	145.9
[M+Na-2H]-	181.074716	139.6
[M]+	160.09950142	132.0
[M]-	160.10059858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe