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]+ 286.164896 164.1
[M+Na]+ 308.146838 170.0
[M-H]- 284.150344 166.0
[M+NH4]+ 303.191443 179.1
[M+K]+ 324.120778 170.0
[M+H-H2O]+ 268.154880 158.2
[M+HCOO]- 330.155821 179.7
[M+CH3COO]- 344.171471 200.9
[M+Na-2H]- 306.132286 164.0
[M]+ 285.15707142 166.6
[M]- 285.15816858 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.