CID 23023088

4-[(6-methylpyridin-3-yl)oxy]aniline

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

CC1=NC=C(C=C1)OC2=CC=C(C=C2)N

InChI

InChI=1S/C12H12N2O/c1-9-2-5-12(8-14-9)15-11-6-3-10(13)4-7-11/h2-8H,13H2,1H3

InChIKey

VEZQBTAGVFNOEX-UHFFFAOYSA-N

Compound name

4-(6-methylpyridin-3-yl)oxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 200.09496 Da
Monoisotopic Mass: 2.1
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	143.3
[M+Na]+	223.08418	158.3
[M+NH4]+	218.12878	152.3
[M+K]+	239.05812	150.7
[M-H]-	199.08768	148.4
[M+Na-2H]-	221.06963	153.5
[M]+	200.09441	147.0
[M]-	200.09551	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe