CID 146155744

2853476-44-3

Structural Information

Molecular Formula
C12H20BF3NO2
SMILES
[B-](C1CC12CCN(CC2)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C12H20BF3NO2/c1-11(2,3)19-10(18)17-6-4-12(5-7-17)8-9(12)13(14,15)16/h9H,4-8H2,1-3H3/q-1
InChIKey
PXVNUBSHAQDYNT-UHFFFAOYSA-N
Compound name
trifluoro-[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octan-2-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 160.6
[M+Na]+ 301.14315 167.9
[M-H]- 277.14665 159.8
[M+NH4]+ 296.18775 172.5
[M+K]+ 317.11709 165.6
[M+H-H2O]+ 261.15119 154.9
[M+HCOO]- 323.15213 171.2
[M+CH3COO]- 337.16778 196.8
[M+Na-2H]- 299.12860 163.5
[M]+ 278.15338 155.4
[M]- 278.15448 155.4
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.