CID 583431

4-aminoindole

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

C1=CC(=C2C=CNC2=C1)N

InChI

InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2

InChIKey

LUNUNJFSHKSXGQ-UHFFFAOYSA-N

Compound name

1H-indol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3588
Patents: 132.06874 Da
Monoisotopic Mass: 2.1
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]+	133.076016	122.5
[M+Na]+	155.057958	132.6
[M-H]-	131.061464	124.8
[M+NH4]+	150.102563	145.1
[M+K]+	171.031898	128.6
[M+H-H2O]+	115.066000	116.8
[M+HCOO]-	177.066941	147.2
[M+CH3COO]-	191.082591	137.1
[M+Na-2H]-	153.043406	131.3
[M]+	132.06819142	120.5
[M]-	132.06928858	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe