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

59
Patents

257.16272 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 160.8
[M+Na]+ 280.151938 165.0
[M-H]- 256.155444 162.0
[M+NH4]+ 275.196543 176.5
[M+K]+ 296.125878 165.1
[M+H-H2O]+ 240.159980 154.4
[M+HCOO]- 302.160921 176.2
[M+CH3COO]- 316.176571 194.1
[M+Na-2H]- 278.137386 162.0
[M]+ 257.16217142 161.2
[M]- 257.16326858 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