CID 163320991

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

Structural Information

Molecular Formula
C10H16BF3NO2
SMILES
[B-](C12CC(C1)(C2)NC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C10H16BF3NO2/c1-8(2,3)17-7(16)15-10-4-9(5-10,6-10)11(12,13)14/h4-6H2,1-3H3,(H,15,16)/q-1
InChIKey
MKTDTUMYRMSRPO-UHFFFAOYSA-N
Compound name
trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl]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 179.5
[M+Na]+ 273.11184 181.7
[M-H]- 249.11534 178.1
[M+NH4]+ 268.15644 182.6
[M+K]+ 289.08578 187.3
[M+H-H2O]+ 233.11988 166.3
[M+HCOO]- 295.12082 186.7
[M+CH3COO]- 309.13647 217.1
[M+Na-2H]- 271.09729 183.1
[M]+ 250.12207 199.3
[M]- 250.12317 199.3
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.