CID 5080129

1-tert-butyl 2-ethyl piperidine-1,2-dicarboxylate

Structural Information

Molecular Formula
C13H23NO4
SMILES
CCOC(=O)C1CCCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-5-17-11(15)10-8-6-7-9-14(10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey
KBDNAOCLKIBYPH-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-ethyl piperidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

257.16272 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 160.8
[M+Na]+ 280.15194 165.0
[M-H]- 256.15544 162.0
[M+NH4]+ 275.19654 176.5
[M+K]+ 296.12588 165.1
[M+H-H2O]+ 240.15998 154.4
[M+HCOO]- 302.16092 176.2
[M+CH3COO]- 316.17657 194.1
[M+Na-2H]- 278.13739 162.0
[M]+ 257.16217 161.2
[M]- 257.16327 161.2
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