CID 155943639

En300-27736955

Structural Information

Molecular Formula
C12H20BF3NO3
SMILES
[B-](C1CCC2(CN(C2)C(=O)OC(C)(C)C)OC1)(F)(F)F
InChI
InChI=1S/C12H20BF3NO3/c1-11(2,3)20-10(18)17-7-12(8-17)5-4-9(6-19-12)13(14,15)16/h9H,4-8H2,1-3H3/q-1
InChIKey
CJYWEPPWOWMVQO-UHFFFAOYSA-N
Compound name
trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15611 174.3
[M+Na]+ 317.13805 175.4
[M+NH4]+ 312.18265 175.1
[M+K]+ 333.11199 173.4
[M-H]- 293.14155 167.5
[M+Na-2H]- 315.12350 171.9
[M]+ 294.14828 170.9
[M]- 294.14938 170.9
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.