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]+ 198.112476 148.3
[M+Na]+ 220.094418 158.7
[M-H]- 196.097924 152.5
[M+NH4]+ 215.139023 164.8
[M+K]+ 236.068358 155.8
[M+H-H2O]+ 180.102460 143.3
[M+HCOO]- 242.103401 167.1
[M+CH3COO]- 256.119051 186.8
[M+Na-2H]- 218.079866 151.7
[M]+ 197.10465142 153.0
[M]- 197.10574858 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.