CID 145874477

2375248-15-8

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 156.2
[M+Na]+ 248.12571 166.2
[M+NH4]+ 243.17031 166.2
[M+K]+ 264.09965 161.6
[M-H]- 224.12921 161.9
[M+Na-2H]- 246.11116 163.0
[M]+ 225.13594 160.5
[M]- 225.13704 160.5
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.