CID 104722

2-acetyl-3,6-dimethylpyrazine

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

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

InChI

InChI=1S/C8H10N2O/c1-5-4-9-6(2)8(10-5)7(3)11/h4H,1-3H3

InChIKey

JFUVDGXTDCVGHA-UHFFFAOYSA-N

Compound name

1-(3,6-dimethylpyrazin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 33
Patents: 150.07932 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]+	151.08660	129.3
[M+Na]+	173.06854	139.2
[M-H]-	149.07204	131.0
[M+NH4]+	168.11314	148.5
[M+K]+	189.04248	137.7
[M+H-H2O]+	133.07658	122.7
[M+HCOO]-	195.07752	151.1
[M+CH3COO]-	209.09317	177.9
[M+Na-2H]-	171.05399	135.7
[M]+	150.07877	130.9
[M]-	150.07987	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe