CID 165944008

Tert-butyl (1r,5r)-1-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(=O)[C@]12C[C@H]1CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO3/c1-8(14)12-5-9(12)6-13(7-12)10(15)16-11(2,3)4/h9H,5-7H2,1-4H3/t9-,12+/m0/s1
InChIKey
SKLTXEFXYVWWTA-JOYOIKCWSA-N
Compound name
tert-butyl (1R,5R)-1-acetyl-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

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 155.3
[M+Na]+ 248.12571 164.8
[M+NH4]+ 243.17031 163.8
[M+K]+ 264.09965 162.6
[M-H]- 224.12921 160.7
[M+Na-2H]- 246.11116 160.3
[M]+ 225.13594 159.2
[M]- 225.13704 159.2
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.