CID 98617

1h-benzo[g]indole

Structural Information

Molecular Formula

C₁₂H₉N

SMILES

C1=CC=C2C(=C1)C=CC3=C2NC=C3

InChI

InChI=1S/C12H9N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8,13H

InChIKey

HIYWOHBEPVGIQN-UHFFFAOYSA-N

Compound name

1H-benzo[g]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7991
Patents: 167.0735 Da
Monoisotopic Mass: 3.3
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]+	168.08078	132.4
[M+Na]+	190.06272	148.4
[M+NH4]+	185.10732	143.4
[M+K]+	206.03666	141.3
[M-H]-	166.06622	136.1
[M+Na-2H]-	188.04817	141.2
[M]+	167.07295	135.9
[M]-	167.07405	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe