CID 75481059

4-(piperidin-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CNCCC1C2CC(=O)NC2

InChI

InChI=1S/C9H16N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h7-8,10H,1-6H2,(H,11,12)

InChIKey

PLHLWCBBZWSJDN-UHFFFAOYSA-N

Compound name

4-piperidin-4-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 168.12627 Da
Monoisotopic Mass: -0.2
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]+	169.13355	140.6
[M+Na]+	191.11549	149.3
[M+NH4]+	186.16009	148.2
[M+K]+	207.08943	145.6
[M-H]-	167.11899	141.5
[M+Na-2H]-	189.10094	144.1
[M]+	168.12572	141.6
[M]-	168.12682	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe