CID 54593665

N-methyl-4-(pyridin-2-yloxy)aniline

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

CNC1=CC=C(C=C1)OC2=CC=CC=N2

InChI

InChI=1S/C12H12N2O/c1-13-10-5-7-11(8-6-10)15-12-4-2-3-9-14-12/h2-9,13H,1H3

InChIKey

AUHHWJBGADUWTH-UHFFFAOYSA-N

Compound name

N-methyl-4-pyridin-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 200.09496 Da
Monoisotopic Mass: 2.4
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]+	201.10224	142.0
[M+Na]+	223.08418	149.5
[M-H]-	199.08768	147.4
[M+NH4]+	218.12878	159.3
[M+K]+	239.05812	146.3
[M+H-H2O]+	183.09222	133.8
[M+HCOO]-	245.09316	167.0
[M+CH3COO]-	259.10881	186.6
[M+Na-2H]-	221.06963	151.0
[M]+	200.09441	141.9
[M]-	200.09551	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe