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 152.9
[M+Na]+ 273.11184 162.2
[M-H]- 249.11534 151.5
[M+NH4]+ 268.15644 168.3
[M+K]+ 289.08578 159.6
[M+H-H2O]+ 233.11988 148.6
[M+HCOO]- 295.12082 165.6
[M+CH3COO]- 309.13647 191.8
[M+Na-2H]- 271.09729 156.7
[M]+ 250.12207 150.8
[M]- 250.12317 150.8
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.