CID 611335

2-methoxy-n-(4-pyridinylmethylene)benzenamine monohydrochloride

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

COC1=CC=CC=C1N=CC2=CC=NC=C2

InChI

InChI=1S/C13H12N2O/c1-16-13-5-3-2-4-12(13)15-10-11-6-8-14-9-7-11/h2-10H,1H3

InChIKey

KECQPAXFVNACLK-UHFFFAOYSA-N

Compound name

N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 212.09496 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]+	213.102236	145.5
[M+Na]+	235.084178	153.4
[M-H]-	211.087684	152.2
[M+NH4]+	230.128783	163.1
[M+K]+	251.058118	150.3
[M+H-H2O]+	195.092220	136.8
[M+HCOO]-	257.093161	171.9
[M+CH3COO]-	271.108811	190.8
[M+Na-2H]-	233.069626	154.4
[M]+	212.09441142	146.9
[M]-	212.09550858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe