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 163.6
[M+Na]+ 278.13628 172.5
[M-H]- 254.13978 167.4
[M+NH4]+ 273.18088 177.9
[M+K]+ 294.11022 169.7
[M+H-H2O]+ 238.14432 158.4
[M+HCOO]- 300.14526 180.7
[M+CH3COO]- 314.16091 197.6
[M+Na-2H]- 276.12173 164.7
[M]+ 255.14651 170.2
[M]- 255.14761 170.2
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

No patent data available for this compound.