CID 155820309

Rac-potassium [(1r,6r)-3-[(tert-butoxy)carbonyl]-3-azabicyclo[4.1.0]heptan-1-yl]trifluoroboranuide

Structural Information

Molecular Formula
C11H18BF3NO2
SMILES
[B-]([C@]12C[C@H]1CCN(C2)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C11H18BF3NO2/c1-10(2,3)18-9(17)16-5-4-8-6-11(8,7-16)12(13,14)15/h8H,4-7H2,1-3H3/q-1/t8-,11+/m1/s1
InChIKey
OVLJXVJJIKXPMO-KCJUWKMLSA-N
Compound name
trifluoro-[(1S,6S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[4.1.0]heptan-1-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14556 158.2
[M+Na]+ 287.12750 166.3
[M-H]- 263.13100 156.3
[M+NH4]+ 282.17210 171.3
[M+K]+ 303.10144 164.0
[M+H-H2O]+ 247.13554 153.0
[M+HCOO]- 309.13648 168.7
[M+CH3COO]- 323.15213 195.0
[M+Na-2H]- 285.11295 162.4
[M]+ 264.13773 154.5
[M]- 264.13883 154.5
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.