CID 230280

1h-indol-3-amine

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

C1=CC=C2C(=C1)C(=CN2)N

InChI

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

InChIKey

TXQAZWIBPGKHOX-UHFFFAOYSA-N

Compound name

1H-indol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1865
References: 7071
Patents: 132.06874 Da
Monoisotopic Mass: 1.9
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]+	133.07602	122.5
[M+Na]+	155.05796	132.6
[M-H]-	131.06146	124.8
[M+NH4]+	150.10256	145.1
[M+K]+	171.03190	128.6
[M+H-H2O]+	115.06600	116.8
[M+HCOO]-	177.06694	147.2
[M+CH3COO]-	191.08259	137.1
[M+Na-2H]-	153.04341	131.3
[M]+	132.06819	120.5
[M]-	132.06929	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe