CID 21925267

3-methyl-4-(pyridin-3-yloxy)aniline

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

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

InChI

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

InChIKey

UAQLILFDDXPFIB-UHFFFAOYSA-N

Compound name

3-methyl-4-pyridin-3-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
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]+	201.102236	142.8
[M+Na]+	223.084178	151.4
[M-H]-	199.087684	148.2
[M+NH4]+	218.128783	160.2
[M+K]+	239.058118	147.8
[M+H-H2O]+	183.092220	134.9
[M+HCOO]-	245.093161	167.2
[M+CH3COO]-	259.108811	187.1
[M+Na-2H]-	221.069626	150.0
[M]+	200.09441142	142.2
[M]-	200.09550858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe