CID 104109

52181-07-4

Structural Information

Molecular Formula

C₁₇H₁₆N

SMILES

CC1=CC=[N+](C2=CC=CC=C12)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N/c1-14-11-12-18(13-15-7-3-2-4-8-15)17-10-6-5-9-16(14)17/h2-12H,13H2,1H3/q+1

InChIKey

JMFPWQSTTDXWOM-UHFFFAOYSA-N

Compound name

1-benzyl-4-methylquinolin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 234.12828 Da
Monoisotopic Mass: 4.3
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]+	235.13556	156.4
[M+Na]+	257.11750	164.8
[M-H]-	233.12100	162.9
[M+NH4]+	252.16210	173.5
[M+K]+	273.09144	153.8
[M+H-H2O]+	217.12554	150.4
[M+HCOO]-	279.12648	177.8
[M+CH3COO]-	293.14213	187.3
[M+Na-2H]-	255.10295	166.4
[M]+	234.12773	155.2
[M]-	234.12883	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe