CID 643221

1-aminoindole

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

C1=CC=C2C(=C1)C=CN2N

InChI

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

InChIKey

VUSYGSNEEYEGGX-UHFFFAOYSA-N

Compound name

indol-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 1081
Patents: 132.06874 Da
Monoisotopic Mass: 2.5
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	122.1
[M+Na]+	155.05796	132.6
[M-H]-	131.06146	125.8
[M+NH4]+	150.10256	145.5
[M+K]+	171.03190	129.6
[M+H-H2O]+	115.06600	116.1
[M+HCOO]-	177.06694	148.4
[M+CH3COO]-	191.08259	137.4
[M+Na-2H]-	153.04341	131.3
[M]+	132.06819	121.9
[M]-	132.06929	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe