CID 55293976

2418694-94-5

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CC(NC1)C2=CC=CNC2=O

InChI

InChI=1S/C9H12N2O/c12-9-7(3-1-6-11-9)8-4-2-5-10-8/h1,3,6,8,10H,2,4-5H2,(H,11,12)

InChIKey

QOSIAVJXAGYOCP-UHFFFAOYSA-N

Compound name

3-pyrrolidin-2-yl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 164.09496 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]+	165.10224	135.6
[M+Na]+	187.08418	147.1
[M+NH4]+	182.12878	143.4
[M+K]+	203.05812	142.9
[M-H]-	163.08768	137.0
[M+Na-2H]-	185.06963	141.9
[M]+	164.09441	137.3
[M]-	164.09551	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe