CID 66612298

2361645-75-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C10H12N2O2/c13-9-2-5-12(6-3-9)8-1-4-11-10(14)7-8/h1,4,7H,2-3,5-6H2,(H,11,14)

InChIKey

GXCQDSZAFVYEED-UHFFFAOYSA-N

Compound name

4-(4-oxopiperidin-1-yl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 192.08987 Da
Monoisotopic Mass: -0.5
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]+	193.097146	140.7
[M+Na]+	215.079088	147.9
[M-H]-	191.082594	143.0
[M+NH4]+	210.123693	156.5
[M+K]+	231.053028	144.2
[M+H-H2O]+	175.087130	132.6
[M+HCOO]-	237.088071	158.7
[M+CH3COO]-	251.103721	178.6
[M+Na-2H]-	213.064536	146.0
[M]+	192.08932142	135.4
[M]-	192.09041858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe