CID 85026

1-benzylquinolinium chloride

Structural Information

Molecular Formula

C₁₆H₁₄N

SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C16H14N/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2/q+1

InChIKey

VQGBPCIONNQYIL-UHFFFAOYSA-N

Compound name

1-benzylquinolin-1-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 586
Patents: 220.11263 Da
Monoisotopic Mass: 3.9
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]+	221.11991	151.7
[M+Na]+	243.10185	159.5
[M-H]-	219.10535	157.9
[M+NH4]+	238.14645	169.0
[M+K]+	259.07579	148.8
[M+H-H2O]+	203.10989	145.7
[M+HCOO]-	265.11083	173.4
[M+CH3COO]-	279.12648	183.3
[M+Na-2H]-	241.08730	163.0
[M]+	220.11208	149.8
[M]-	220.11318	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe