CID 3018406

Diethyl 3-oxopiperidine-1,4-dicarboxylate

Structural Information

Molecular Formula
C11H17NO5
SMILES
CCOC(=O)C1CCN(CC1=O)C(=O)OCC
InChI
InChI=1S/C11H17NO5/c1-3-16-10(14)8-5-6-12(7-9(8)13)11(15)17-4-2/h8H,3-7H2,1-2H3
InChIKey
ZYDLREJETGYCGW-UHFFFAOYSA-N
Compound name
diethyl 3-oxopiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.11067 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.117946 152.5
[M+Na]+ 266.099888 158.1
[M-H]- 242.103394 154.1
[M+NH4]+ 261.144493 168.6
[M+K]+ 282.073828 158.2
[M+H-H2O]+ 226.107930 145.8
[M+HCOO]- 288.108871 170.5
[M+CH3COO]- 302.124521 190.9
[M+Na-2H]- 264.085336 153.3
[M]+ 243.11012142 153.9
[M]- 243.11121858 153.9
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