CID 26335

2-methyl-5-vinylpyrazine

Structural Information

Molecular Formula

C₇H₈N₂

SMILES

CC1=CN=C(C=N1)C=C

InChI

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

InChIKey

JASFBLBUHWKFBZ-UHFFFAOYSA-N

Compound name

2-ethenyl-5-methylpyrazine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 451
Patents: 120.06875 Da
Monoisotopic Mass: 1.0
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	121.9
[M+Na]+	143.05797	131.6
[M-H]-	119.06147	123.2
[M+NH4]+	138.10257	142.0
[M+K]+	159.03191	129.4
[M+H-H2O]+	103.06601	115.3
[M+HCOO]-	165.06695	144.7
[M+CH3COO]-	179.08260	170.9
[M+Na-2H]-	141.04342	130.8
[M]+	120.06820	121.8
[M]-	120.06930	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe