CID 15639205

2-ethynylpyrazine

Structural Information

Molecular Formula

C₆H₄N₂

SMILES

C#CC1=NC=CN=C1

InChI

InChI=1S/C6H4N2/c1-2-6-5-7-3-4-8-6/h1,3-5H

InChIKey

GLEJGPDNIJWWQH-UHFFFAOYSA-N

Compound name

2-ethynylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 197
Patents: 104.037445 Da
Monoisotopic Mass: 0.1
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]+	105.04472	121.0
[M+Na]+	127.02666	134.7
[M+NH4]+	122.07127	126.2
[M+K]+	143.00060	125.1
[M-H]-	103.03017	114.6
[M+Na-2H]-	125.01211	126.4
[M]+	104.03690	120.3
[M]-	104.03799	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe