CID 265436

Ethyl 2,3-dioxopiperidine-4-carboxylate

Structural Information

Molecular Formula
C8H11NO4
SMILES
CCOC(=O)C1CCNC(=O)C1=O
InChI
InChI=1S/C8H11NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h5H,2-4H2,1H3,(H,9,11)
InChIKey
UYMPBTFWKORAQR-UHFFFAOYSA-N
Compound name
ethyl 2,3-dioxopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

78
Patents

185.0688 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.076076 137.1
[M+Na]+ 208.058018 143.8
[M-H]- 184.061524 137.7
[M+NH4]+ 203.102623 154.8
[M+K]+ 224.031958 142.6
[M+H-H2O]+ 168.066060 131.2
[M+HCOO]- 230.067001 155.3
[M+CH3COO]- 244.082651 177.6
[M+Na-2H]- 206.043466 140.0
[M]+ 185.06825142 134.8
[M]- 185.06934858 134.8
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