CID 584772

2-pyrazinyl-4-methoxyphenylketone

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

COC1=CC=C(C=C1)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C12H10N2O2/c1-16-10-4-2-9(3-5-10)12(15)11-8-13-6-7-14-11/h2-8H,1H3

InChIKey

WVSCPUBHPXOQBV-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)-pyrazin-2-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 214.07423 Da
Monoisotopic Mass: 1.8
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]+	215.081506	145.1
[M+Na]+	237.063448	153.5
[M-H]-	213.066954	149.3
[M+NH4]+	232.108053	160.6
[M+K]+	253.037388	150.6
[M+H-H2O]+	197.071490	136.2
[M+HCOO]-	259.072431	167.1
[M+CH3COO]-	273.088081	186.6
[M+Na-2H]-	235.048896	152.5
[M]+	214.07368142	146.4
[M]-	214.07477858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe