CID 165676268

Rac-tert-butyl (1r,5r)-3-oxo-2-azabicyclo[3.1.0]hexane-2-carboxylate

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2CC1=O
InChI
InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-7-4-6(7)5-8(11)12/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey
APRHZCZIWPERLL-RNFRBKRXSA-N
Compound name
tert-butyl (1R,5R)-3-oxo-2-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 148.3
[M+Na]+ 220.09442 158.7
[M-H]- 196.09792 152.5
[M+NH4]+ 215.13902 164.8
[M+K]+ 236.06836 155.8
[M+H-H2O]+ 180.10246 143.3
[M+HCOO]- 242.10340 167.1
[M+CH3COO]- 256.11905 186.8
[M+Na-2H]- 218.07987 151.7
[M]+ 197.10465 153.0
[M]- 197.10575 153.0
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.