CID 121229905

2-tert-butyl 6-ethyl 2-azabicyclo[3.1.0]hexane-2,6-dicarboxylate

Structural Information

Molecular Formula
C13H21NO4
SMILES
CCOC(=O)C1C2C1N(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO4/c1-5-17-11(15)9-8-6-7-14(10(8)9)12(16)18-13(2,3)4/h8-10H,5-7H2,1-4H3
InChIKey
AFZOQLDLDMCJHT-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 6-O-ethyl 2-azabicyclo[3.1.0]hexane-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 160.3
[M+Na]+ 278.13628 169.3
[M+NH4]+ 273.18088 166.8
[M+K]+ 294.11022 169.3
[M-H]- 254.13978 165.1
[M+Na-2H]- 276.12173 162.9
[M]+ 255.14651 163.7
[M]- 255.14761 163.7
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.