CID 13688375

3-(pyridin-2-ylmethoxy)aniline dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

C1=CC=NC(=C1)COC2=CC=CC(=C2)N

InChI

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

InChIKey

HGHLFKVWEXFLES-UHFFFAOYSA-N

Compound name

3-(pyridin-2-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 200.09496 Da
Monoisotopic Mass: 1.7
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	143.5
[M+Na]+	223.08418	158.0
[M+NH4]+	218.12878	152.5
[M+K]+	239.05812	150.3
[M-H]-	199.08768	148.5
[M+Na-2H]-	221.06963	153.9
[M]+	200.09441	147.0
[M]-	200.09551	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe