CID 14156398

1-(pyrazin-2-yl)piperidin-4-one

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

C1CN(CCC1=O)C2=NC=CN=C2

InChI

InChI=1S/C9H11N3O/c13-8-1-5-12(6-2-8)9-7-10-3-4-11-9/h3-4,7H,1-2,5-6H2

InChIKey

XPCSQADQDLPZMM-UHFFFAOYSA-N

Compound name

1-pyrazin-2-ylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 177.09021 Da
Monoisotopic Mass: -0.3
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]+	178.097486	138.3
[M+Na]+	200.079428	145.2
[M-H]-	176.082934	140.2
[M+NH4]+	195.124033	153.8
[M+K]+	216.053368	142.5
[M+H-H2O]+	160.087470	129.0
[M+HCOO]-	222.088411	156.3
[M+CH3COO]-	236.104061	150.0
[M+Na-2H]-	198.064876	145.3
[M]+	177.08966142	133.9
[M]-	177.09075858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe