CID 470937

2-phenoxypyrazine

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

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

InChI

InChI=1S/C10H8N2O/c1-2-4-9(5-3-1)13-10-8-11-6-7-12-10/h1-8H

InChIKey

LKXUZLSVURTETC-UHFFFAOYSA-N

Compound name

2-phenoxypyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 106
Patents: 172.06366 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]+	173.070936	133.6
[M+Na]+	195.052878	142.0
[M-H]-	171.056384	137.6
[M+NH4]+	190.097483	150.7
[M+K]+	211.026818	139.1
[M+H-H2O]+	155.060920	125.0
[M+HCOO]-	217.061861	156.9
[M+CH3COO]-	231.077511	147.0
[M+Na-2H]-	193.038326	144.1
[M]+	172.06311142	133.6
[M]-	172.06420858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe