CID 82124676

1-tert-butyl 4-ethyl 4-acetylpiperidine-1,4-dicarboxylate

Structural Information

Molecular Formula
C15H25NO5
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)C
InChI
InChI=1S/C15H25NO5/c1-6-20-12(18)15(11(2)17)7-9-16(10-8-15)13(19)21-14(3,4)5/h6-10H2,1-5H3
InChIKey
GLBCHSPQVZSUNR-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.180556 168.3
[M+Na]+ 322.162498 172.6
[M-H]- 298.166004 169.6
[M+NH4]+ 317.207103 184.1
[M+K]+ 338.136438 173.3
[M+H-H2O]+ 282.170540 163.0
[M+HCOO]- 344.171481 182.6
[M+CH3COO]- 358.187131 201.8
[M+Na-2H]- 320.147946 169.3
[M]+ 299.17273142 170.1
[M]- 299.17382858 170.1
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.