CID 69077

606-55-3

Structural Information

Molecular Formula

C₁₂H₁₄N

SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)C

InChI

InChI=1S/C12H14N/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13/h4-9H,3H2,1-2H3/q+1

InChIKey

SLBWCOTYERYRPL-UHFFFAOYSA-N

Compound name

1-ethyl-2-methylquinolin-1-ium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 870
Patents: 172.11263 Da
Monoisotopic Mass: 3.0
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]+	173.11991	134.2
[M+Na]+	195.10185	152.3
[M+NH4]+	190.14645	145.8
[M+K]+	211.07579	144.1
[M-H]-	171.10535	139.9
[M+Na-2H]-	193.08730	144.2
[M]+	172.11208	139.0
[M]-	172.11318	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe