CID 56972878

1245782-62-0

Structural Information

Molecular Formula
C13H21NO5
SMILES
CCOC(=O)C1C(=O)CCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)10-9(15)7-6-8-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3
InChIKey
GEBLXHUPYRYFEX-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-ethyl 3-oxopiperidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.14197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 161.6
[M+Na]+ 294.13119 169.3
[M+NH4]+ 289.17579 166.0
[M+K]+ 310.10513 167.0
[M-H]- 270.13469 159.1
[M+Na-2H]- 292.11664 162.5
[M]+ 271.14142 161.5
[M]- 271.14252 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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