CID 39484

Cyperquat

Structural Information

Molecular Formula

C₁₂H₁₂N

SMILES

C[N+]1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1

InChIKey

FMGYKKMPNATWHP-UHFFFAOYSA-N

Compound name

1-methyl-4-phenylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2410
References: 14507
Patents: 170.09697 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]+	171.10425	134.0
[M+Na]+	193.08619	152.8
[M+NH4]+	188.13079	145.5
[M+K]+	209.06013	144.5
[M-H]-	169.08969	141.3
[M+Na-2H]-	191.07164	146.9
[M]+	170.09642	139.4
[M]-	170.09752	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe