CID 145874477

Rac-tert-butyl (1r,5r)-1-formyl-5-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
C[C@]12C[C@]1(CN(C2)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C12H19NO3/c1-10(2,3)16-9(15)13-6-11(4)5-12(11,7-13)8-14/h8H,5-7H2,1-4H3/t11-,12+/m1/s1
InChIKey
JYLYSBGREBVWQA-NEPJUHHUSA-N
Compound name
tert-butyl (1S,5S)-1-formyl-5-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 157.0
[M+Na]+ 248.12571 167.1
[M-H]- 224.12921 161.1
[M+NH4]+ 243.17031 176.0
[M+K]+ 264.09965 165.7
[M+H-H2O]+ 208.13375 153.9
[M+HCOO]- 270.13469 174.4
[M+CH3COO]- 284.15034 190.7
[M+Na-2H]- 246.11116 162.5
[M]+ 225.13594 163.0
[M]- 225.13704 163.0
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.