CID 3085845

Einecs 276-848-2

Structural Information

Molecular Formula

C₈H₁₁N₂O

SMILES

CC1=C[N+](=CC(=N1)C)C(=O)C

InChI

InChI=1S/C8H11N2O/c1-6-4-10(8(3)11)5-7(2)9-6/h4-5H,1-3H3/q+1

InChIKey

SRLOIFIDNDAVFM-UHFFFAOYSA-N

Compound name

1-(3,5-dimethylpyrazin-1-ium-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 59
Patents: 151.08714 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]+	152.09442	128.9
[M+Na]+	174.07636	144.8
[M+NH4]+	169.12096	138.0
[M+K]+	190.05030	139.6
[M-H]-	150.07986	131.7
[M+Na-2H]-	172.06181	136.9
[M]+	151.08659	132.3
[M]-	151.08769	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe