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

104
Patents

176.05858 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 134.4
[M+Na]+ 199.047798 143.4
[M-H]- 175.051304 138.8
[M+NH4]+ 194.092403 153.6
[M+K]+ 215.021738 141.0
[M+H-H2O]+ 159.055840 126.8
[M+HCOO]- 221.056781 156.6
[M+CH3COO]- 235.072431 177.6
[M+Na-2H]- 197.033246 139.1
[M]+ 176.05803142 132.9
[M]- 176.05912858 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe