CID 119030970

1-tert-butyl 3-methyl 2-ethyl-4-oxopiperidine-1,3-dicarboxylate

Structural Information

Molecular Formula
C14H23NO5
SMILES
CCC1C(C(=O)CCN1C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C14H23NO5/c1-6-9-11(12(17)19-5)10(16)7-8-15(9)13(18)20-14(2,3)4/h9,11H,6-8H2,1-5H3
InChIKey
DBSORQIBUVWRHY-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 2-ethyl-4-oxopiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15762 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 164.1
[M+Na]+ 308.14684 170.0
[M-H]- 284.15034 166.0
[M+NH4]+ 303.19144 179.1
[M+K]+ 324.12078 170.0
[M+H-H2O]+ 268.15488 158.2
[M+HCOO]- 330.15582 179.7
[M+CH3COO]- 344.17147 200.9
[M+Na-2H]- 306.13229 164.0
[M]+ 285.15707 166.6
[M]- 285.15817 166.6
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.