CID 155820853

Potassium (3-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}bicyclo[1.1.1]pentan-1-yl)trifluoroboranuide

Structural Information

Molecular Formula
C13H20BF3NO2
SMILES
[B-](C12CC(C1)(C2)C3CN(C3)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C13H20BF3NO2/c1-11(2,3)20-10(19)18-4-9(5-18)12-6-13(7-12,8-12)14(15,16)17/h9H,4-8H2,1-3H3/q-1
InChIKey
QFVZPPMSCVUVNC-UHFFFAOYSA-N
Compound name
trifluoro-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1-bicyclo[1.1.1]pentanyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.15393 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16121 187.6
[M+Na]+ 313.14315 189.0
[M-H]- 289.14665 188.1
[M+NH4]+ 308.18775 184.5
[M+K]+ 329.11709 194.7
[M+H-H2O]+ 273.15119 173.5
[M+HCOO]- 335.15213 190.6
[M+CH3COO]- 349.16778 235.4
[M+Na-2H]- 311.12860 187.5
[M]+ 290.15338 209.2
[M]- 290.15448 209.2
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.