CID 13688372

105350-44-5

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

C1=CC(=CN=C1)COC2=CC=C(C=C2)N

InChI

InChI=1S/C12H12N2O/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8H,9,13H2

InChIKey

OCELZBJNNVNSDE-UHFFFAOYSA-N

Compound name

4-(pyridin-3-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 200.09496 Da
Monoisotopic Mass: 1.6
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	142.5
[M+Na]+	223.084178	150.1
[M-H]-	199.087684	147.5
[M+NH4]+	218.128783	159.6
[M+K]+	239.058118	146.5
[M+H-H2O]+	183.092220	134.4
[M+HCOO]-	245.093161	166.9
[M+CH3COO]-	259.108811	186.0
[M+Na-2H]-	221.069626	150.5
[M]+	200.09441142	141.5
[M]-	200.09550858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe