CID 9191

Benzo[h]quinoline

Structural Information

Molecular Formula

C₁₃H₉N

SMILES

C1=CC=C2C(=C1)C=CC3=C2N=CC=C3

InChI

InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H

InChIKey

WZJYKHNJTSNBHV-UHFFFAOYSA-N

Compound name

benzo[h]quinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 69
References: 34142
Patents: 179.0735 Da
Monoisotopic Mass: 3.4
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]+	180.080776	134.0
[M+Na]+	202.062718	144.7
[M-H]-	178.066224	138.6
[M+NH4]+	197.107323	154.9
[M+K]+	218.036658	139.7
[M+H-H2O]+	162.070760	126.8
[M+HCOO]-	224.071701	157.1
[M+CH3COO]-	238.087351	148.3
[M+Na-2H]-	200.048166	147.0
[M]+	179.07295142	135.1
[M]-	179.07404858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe