CID 16773127

4-(pyrazin-2-yloxy)aniline

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

C1=CC(=CC=C1N)OC2=NC=CN=C2

InChI

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

InChIKey

DRVPAFSPKIXURX-UHFFFAOYSA-N

Compound name

4-pyrazin-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 187.07455 Da
Monoisotopic Mass: 1.0
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	138.0
[M+Na]+	210.06377	146.5
[M-H]-	186.06727	141.9
[M+NH4]+	205.10837	154.3
[M+K]+	226.03771	143.1
[M+H-H2O]+	170.07181	129.3
[M+HCOO]-	232.07275	161.8
[M+CH3COO]-	246.08840	151.0
[M+Na-2H]-	208.04922	147.2
[M]+	187.07400	136.8
[M]-	187.07510	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe