CID 10561371

4-ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate

Structural Information

Molecular Formula
C10H15NO5
SMILES
CCOC(=O)C1CCN(CC1=O)C(=O)OC
InChI
InChI=1S/C10H15NO5/c1-3-16-9(13)7-4-5-11(6-8(7)12)10(14)15-2/h7H,3-6H2,1-2H3
InChIKey
PTKLDHADMDDGDN-UHFFFAOYSA-N
Compound name
4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

229.09502 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10230 147.9
[M+Na]+ 252.08424 154.0
[M-H]- 228.08774 149.7
[M+NH4]+ 247.12884 164.6
[M+K]+ 268.05818 154.3
[M+H-H2O]+ 212.09228 141.4
[M+HCOO]- 274.09322 166.2
[M+CH3COO]- 288.10887 187.9
[M+Na-2H]- 250.06969 149.2
[M]+ 229.09447 148.9
[M]- 229.09557 148.9
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

patents stripe