CID 840637

101975-74-0

Structural Information

Molecular Formula

C₁₂H₁₂NO

SMILES

C[N+]1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C12H12NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10H,1H3/q+1

InChIKey

MRDSWFLOXQFTFR-UHFFFAOYSA-N

Compound name

1-methyl-4-phenoxypyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.09189 Da
Monoisotopic Mass: 2.5
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]+	187.09917	137.5
[M+Na]+	209.08111	155.7
[M+NH4]+	204.12571	148.4
[M+K]+	225.05505	147.9
[M-H]-	185.08461	144.3
[M+Na-2H]-	207.06656	149.9
[M]+	186.09134	142.6
[M]-	186.09244	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.