CID 77840

2-vinylpyrazine

Structural Information

Molecular Formula

C₆H₆N₂

SMILES

C=CC1=NC=CN=C1

InChI

InChI=1S/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2

InChIKey

KANZWHBYRHQMKZ-UHFFFAOYSA-N

Compound name

2-ethenylpyrazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 4889
Patents: 106.0531 Da
Monoisotopic Mass: 0.6
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]+	107.060376	117.6
[M+Na]+	129.042318	126.7
[M-H]-	105.045824	118.7
[M+NH4]+	124.086923	138.0
[M+K]+	145.016258	124.9
[M+H-H2O]+	89.050360	110.9
[M+HCOO]-	151.051301	140.8
[M+CH3COO]-	165.066951	166.8
[M+Na-2H]-	127.027766	127.8
[M]+	106.05255142	116.8
[M]-	106.05364858	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe