CID 111634

1h-indol-7-amine

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

C1=CC2=C(C(=C1)N)NC=C2

InChI

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

InChIKey

WTFWZOSMUGZKNZ-UHFFFAOYSA-N

Compound name

1H-indol-7-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 1642
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]+	133.07602	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