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 156.5
[M+Na]+ 248.12571 165.6
[M-H]- 224.12921 160.4
[M+NH4]+ 243.17031 173.5
[M+K]+ 264.09965 163.7
[M+H-H2O]+ 208.13375 152.4
[M+HCOO]- 270.13469 173.4
[M+CH3COO]- 284.15034 191.8
[M+Na-2H]- 246.11116 159.7
[M]+ 225.13594 161.4
[M]- 225.13704 161.4
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.