CID 137942804

2410955-49-4

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CCOC(=O)[C@@H]1CCN(C[C@@H]1N)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O4/c1-5-18-11(16)9-6-7-15(8-10(9)14)12(17)19-13(2,3)4/h9-10H,5-8,14H2,1-4H3/t9-,10+/m1/s1
InChIKey
HWBQJXRREBQWDK-ZJUUUORDSA-N
Compound name
1-O-tert-butyl 4-O-ethyl (3R,4R)-3-aminopiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 165.0
[M+Na]+ 295.16282 169.2
[M-H]- 271.16632 166.0
[M+NH4]+ 290.20742 179.7
[M+K]+ 311.13676 169.1
[M+H-H2O]+ 255.17086 158.5
[M+HCOO]- 317.17180 180.8
[M+CH3COO]- 331.18745 199.9
[M+Na-2H]- 293.14827 164.9
[M]+ 272.17305 164.0
[M]- 272.17415 164.0
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.