CID 155822705

Rac-potassium [(1r,5s)-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexan-1-yl]trifluoroboranuide

Structural Information

Molecular Formula
C10H16BF3NO2
SMILES
[B-]([C@]12C[C@H]1CN(C2)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C10H16BF3NO2/c1-9(2,3)17-8(16)15-5-7-4-10(7,6-15)11(12,13)14/h7H,4-6H2,1-3H3/q-1/t7-,10-/m0/s1
InChIKey
AZKBMIUNSPRDIY-XVKPBYJWSA-N
Compound name
trifluoro-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-1-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12990 163.3
[M+Na]+ 273.11184 168.7
[M+NH4]+ 268.15644 168.8
[M+K]+ 289.08578 168.0
[M-H]- 249.11534 163.3
[M+Na-2H]- 271.09729 165.1
[M]+ 250.12207 164.4
[M]- 250.12317 164.4
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.