CID 49657890

55656-99-0

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

C1C(CNC1=O)C2=CN=CC=C2

InChI

InChI=1S/C9H10N2O/c12-9-4-8(6-11-9)7-2-1-3-10-5-7/h1-3,5,8H,4,6H2,(H,11,12)

InChIKey

MZFLMYXJIGUFBN-UHFFFAOYSA-N

Compound name

4-pyridin-3-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 162.07932 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]+	163.08660	133.4
[M+Na]+	185.06854	140.8
[M-H]-	161.07204	135.9
[M+NH4]+	180.11314	152.2
[M+K]+	201.04248	137.6
[M+H-H2O]+	145.07658	125.8
[M+HCOO]-	207.07752	153.6
[M+CH3COO]-	221.09317	146.1
[M+Na-2H]-	183.05399	138.3
[M]+	162.07877	128.9
[M]-	162.07987	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe