CID 3061465

1-(8-quinolyl)-2-pyrrolidinone

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

C1CC(=O)N(C1)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C13H12N2O/c16-12-7-3-9-15(12)11-6-1-4-10-5-2-8-14-13(10)11/h1-2,4-6,8H,3,7,9H2

InChIKey

MVGXWXNDLBXHMO-UHFFFAOYSA-N

Compound name

1-quinolin-8-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 212.09496 Da
Monoisotopic Mass: 1.6
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]+	213.10224	146.9
[M+Na]+	235.08418	161.1
[M+NH4]+	230.12878	156.2
[M+K]+	251.05812	155.1
[M-H]-	211.08768	150.6
[M+Na-2H]-	233.06963	154.7
[M]+	212.09441	150.0
[M]-	212.09551	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe