CID 62897

Isopropenylpyrazine

Structural Information

Molecular Formula

C₇H₈N₂

SMILES

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

InChI

InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3

InChIKey

JMKUTMOIKCXELD-UHFFFAOYSA-N

Compound name

2-prop-1-en-2-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 230
Patents: 120.06875 Da
Monoisotopic Mass: 1.2
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]+	121.07603	123.5
[M+Na]+	143.05797	137.1
[M+NH4]+	138.10257	132.0
[M+K]+	159.03191	130.6
[M-H]-	119.06147	124.8
[M+Na-2H]-	141.04342	131.5
[M]+	120.06820	125.7
[M]-	120.06930	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe