CID 16771844

3-(pyrimidin-2-yloxy)aniline

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

C1=CC(=CC(=C1)OC2=NC=CC=N2)N

InChI

InChI=1S/C10H9N3O/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H,11H2

InChIKey

LGQYFEIXVXGFKY-UHFFFAOYSA-N

Compound name

3-pyrimidin-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 187.07455 Da
Monoisotopic Mass: 1.4
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]+	188.08183	138.6
[M+Na]+	210.06377	153.2
[M+NH4]+	205.10837	147.0
[M+K]+	226.03771	146.3
[M-H]-	186.06727	142.7
[M+Na-2H]-	208.04922	149.0
[M]+	187.07400	141.8
[M]-	187.07510	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe