CID 546031

1-(2-pyrazinyl)-2,2-dimethylpropanone

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

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

InChI

InChI=1S/C9H12N2O/c1-9(2,3)8(12)7-6-10-4-5-11-7/h4-6H,1-3H3

InChIKey

FEHSMJDEXXANOA-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1-pyrazin-2-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 164.09496 Da
Monoisotopic Mass: 1.6
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]+	165.102236	135.4
[M+Na]+	187.084178	143.5
[M-H]-	163.087684	136.5
[M+NH4]+	182.128783	153.5
[M+K]+	203.058118	142.1
[M+H-H2O]+	147.092220	128.7
[M+HCOO]-	209.093161	155.3
[M+CH3COO]-	223.108811	178.3
[M+Na-2H]-	185.069626	143.3
[M]+	164.09441142	135.9
[M]-	164.09550858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe