CID 24689384

1-(piperidin-3-yl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CC(CNC1)N2CCCC2=O

InChI

InChI=1S/C9H16N2O/c12-9-4-2-6-11(9)8-3-1-5-10-7-8/h8,10H,1-7H2

InChIKey

BZRSOJJKKGRFNG-UHFFFAOYSA-N

Compound name

1-piperidin-3-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 168.12627 Da
Monoisotopic Mass: -0.1
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	139.6
[M+Na]+	191.11549	143.9
[M-H]-	167.11899	140.9
[M+NH4]+	186.16009	157.8
[M+K]+	207.08943	141.3
[M+H-H2O]+	151.12353	131.8
[M+HCOO]-	213.12447	155.4
[M+CH3COO]-	227.14012	173.8
[M+Na-2H]-	189.10094	141.3
[M]+	168.12572	130.7
[M]-	168.12682	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe