CID 47002994

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

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

C1C(CNC1=O)C2=CC=CC=N2

InChI

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

InChIKey

QSHDIJPPAHJALG-UHFFFAOYSA-N

Compound name

4-pyridin-2-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 162.07932 Da
Monoisotopic Mass: 0.0
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]+	163.086596	133.4
[M+Na]+	185.068538	140.8
[M-H]-	161.072044	135.9
[M+NH4]+	180.113143	152.2
[M+K]+	201.042478	137.6
[M+H-H2O]+	145.076580	125.8
[M+HCOO]-	207.077521	153.6
[M+CH3COO]-	221.093171	146.1
[M+Na-2H]-	183.053986	138.3
[M]+	162.07877142	128.9
[M]-	162.07986858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe