CID 14299730

45990-12-3

Structural Information

Molecular Formula

C₁₁H₉N

SMILES

C1C2=CC=CC3=C2C(=CC=C3)N1

InChI

InChI=1S/C11H9N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-6,12H,7H2

InChIKey

HFJHUOIVZVHBBM-UHFFFAOYSA-N

Compound name

1,2-dihydrobenzo[cd]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 155.0735 Da
Monoisotopic Mass: 2.7
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]+	156.08078	129.9
[M+Na]+	178.06272	144.2
[M+NH4]+	173.10732	141.0
[M+K]+	194.03666	137.7
[M-H]-	154.06622	132.7
[M+Na-2H]-	176.04817	136.6
[M]+	155.07295	132.8
[M]-	155.07405	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe