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]+ 195.07642 140.6
[M+Na]+ 217.05836 148.2
[M-H]- 193.06186 143.2
[M+NH4]+ 212.10296 158.2
[M+K]+ 233.03230 145.2
[M+H-H2O]+ 177.06640 133.4
[M+HCOO]- 239.06734 158.6
[M+CH3COO]- 253.08299 178.3
[M+Na-2H]- 215.04381 142.1
[M]+ 194.06859 135.5
[M]- 194.06969 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.