CID 461363

Quinolinium, 8-methoxy-1-methyl-, iodide

Structural Information

Molecular Formula

C₁₁H₁₂NO

SMILES

C[N+]1=CC=CC2=C1C(=CC=C2)OC

InChI

InChI=1S/C11H12NO/c1-12-8-4-6-9-5-3-7-10(13-2)11(9)12/h3-8H,1-2H3/q+1

InChIKey

FGPJHSMCRGETJZ-UHFFFAOYSA-N

Compound name

8-methoxy-1-methylquinolin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 131
Patents: 174.09189 Da
Monoisotopic Mass: 2.3
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]+	175.09917	136.2
[M+Na]+	197.08111	146.0
[M-H]-	173.08461	140.3
[M+NH4]+	192.12571	156.5
[M+K]+	213.05505	137.9
[M+H-H2O]+	157.08915	132.4
[M+HCOO]-	219.09009	158.7
[M+CH3COO]-	233.10574	175.2
[M+Na-2H]-	195.06656	147.5
[M]+	174.09134	137.2
[M]-	174.09244	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe