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]+ 273.180876 165.0
[M+Na]+ 295.162818 169.2
[M-H]- 271.166324 166.0
[M+NH4]+ 290.207423 179.7
[M+K]+ 311.136758 169.1
[M+H-H2O]+ 255.170860 158.5
[M+HCOO]- 317.171801 180.8
[M+CH3COO]- 331.187451 199.9
[M+Na-2H]- 293.148266 164.9
[M]+ 272.17305142 164.0
[M]- 272.17414858 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.