CID 63662103

1-(6-oxopiperidin-3-yl)-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1CC(=O)NCC1N2C(=O)C=CC2=O
InChI
InChI=1S/C9H10N2O3/c12-7-2-1-6(5-10-7)11-8(13)3-4-9(11)14/h3-4,6H,1-2,5H2,(H,10,12)
InChIKey
ZGOUCKQKBGPPEY-UHFFFAOYSA-N
Compound name
1-(6-oxopiperidin-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 140.6
[M+Na]+ 217.058358 148.2
[M-H]- 193.061864 143.2
[M+NH4]+ 212.102963 158.2
[M+K]+ 233.032298 145.2
[M+H-H2O]+ 177.066400 133.4
[M+HCOO]- 239.067341 158.6
[M+CH3COO]- 253.082991 178.3
[M+Na-2H]- 215.043806 142.1
[M]+ 194.06859142 135.5
[M]- 194.06968858 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.