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]+ 226.143766 157.0
[M+Na]+ 248.125708 167.1
[M-H]- 224.129214 161.1
[M+NH4]+ 243.170313 176.0
[M+K]+ 264.099648 165.7
[M+H-H2O]+ 208.133750 153.9
[M+HCOO]- 270.134691 174.4
[M+CH3COO]- 284.150341 190.7
[M+Na-2H]- 246.111156 162.5
[M]+ 225.13594142 163.0
[M]- 225.13703858 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.