CID 155970930

En300-26871050

Structural Information

Molecular Formula
C12H20BF3NO2
SMILES
[B-](C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C12H20BF3NO2/c1-12(2,3)19-11(18)17-9-4-5-10(17)7-8(6-9)13(14,15)16/h8-10H,4-7H2,1-3H3/q-1/t8?,9-,10+
InChIKey
BYCFGGGDCLDNHT-PBINXNQUSA-N
Compound name
trifluoro-[(1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.15393 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.16121 163.3
[M+Na]+ 301.14315 169.0
[M-H]- 277.14665 158.8
[M+NH4]+ 296.18775 181.2
[M+K]+ 317.11709 166.8
[M+H-H2O]+ 261.15119 158.5
[M+HCOO]- 323.15213 172.5
[M+CH3COO]- 337.16778 195.8
[M+Na-2H]- 299.12860 164.4
[M]+ 278.15338 155.9
[M]- 278.15448 155.9
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.