CID 12940621

4-(pyrazin-2-yloxy)phenol

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC(=CC=C1O)OC2=NC=CN=C2

InChI

InChI=1S/C10H8N2O2/c13-8-1-3-9(4-2-8)14-10-7-11-5-6-12-10/h1-7,13H

InChIKey

APSGIVMMDVTGHI-UHFFFAOYSA-N

Compound name

4-pyrazin-2-yloxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 188.05858 Da
Monoisotopic Mass: 1.3
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]+	189.06586	137.4
[M+Na]+	211.04780	146.3
[M-H]-	187.05130	140.5
[M+NH4]+	206.09240	153.5
[M+K]+	227.02174	143.0
[M+H-H2O]+	171.05584	129.1
[M+HCOO]-	233.05678	159.4
[M+CH3COO]-	247.07243	150.4
[M+Na-2H]-	209.03325	146.7
[M]+	188.05803	137.4
[M]-	188.05913	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe