CID 2737832

1-(pyridin-3-yl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

C1CC(=O)N(C1=O)C2=CN=CC=C2

InChI

InChI=1S/C9H8N2O2/c12-8-3-4-9(13)11(8)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2

InChIKey

RYONIULDAJSXIO-UHFFFAOYSA-N

Compound name

1-pyridin-3-ylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 176.05858 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]+	177.06586	136.7
[M+Na]+	199.04780	149.2
[M+NH4]+	194.09240	144.3
[M+K]+	215.02174	145.1
[M-H]-	175.05130	138.5
[M+Na-2H]-	197.03325	143.4
[M]+	176.05803	138.7
[M]-	176.05913	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe