CID 55292345

2567496-10-8

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CC(NC1)C2=CNC(=O)C=C2

InChI

InChI=1S/C9H12N2O/c12-9-4-3-7(6-11-9)8-2-1-5-10-8/h3-4,6,8,10H,1-2,5H2,(H,11,12)

InChIKey

CELSHJKHNJIAAJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 164.09496 Da
Monoisotopic Mass: -0.4
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	134.5
[M+Na]+	187.08418	141.5
[M-H]-	163.08768	135.6
[M+NH4]+	182.12878	152.5
[M+K]+	203.05812	137.3
[M+H-H2O]+	147.09222	127.1
[M+HCOO]-	209.09316	153.2
[M+CH3COO]-	223.10881	146.4
[M+Na-2H]-	185.06963	138.9
[M]+	164.09441	128.1
[M]-	164.09551	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe