CID 8027171

202288-73-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

C1=CC=C(C(=C1)N)OCC2=CN=CC=C2

InChI

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

InChIKey

NISBBHHUQZRGQA-UHFFFAOYSA-N

Compound name

2-(pyridin-3-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
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]+	201.10224	142.5
[M+Na]+	223.08418	150.1
[M-H]-	199.08768	147.5
[M+NH4]+	218.12878	159.6
[M+K]+	239.05812	146.5
[M+H-H2O]+	183.09222	134.4
[M+HCOO]-	245.09316	166.9
[M+CH3COO]-	259.10881	186.0
[M+Na-2H]-	221.06963	150.5
[M]+	200.09441	141.5
[M]-	200.09551	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe