CID 146049219

2652037-40-4

Structural Information

Molecular Formula
C10H18BF3NO2
SMILES
[B-](C1CCCN(C1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C10H18BF3NO2/c1-10(2,3)17-9(16)15-6-4-5-8(7-15)11(12,13)14/h8H,4-7H2,1-3H3/q-1
InChIKey
GKMSWMZRFZDODK-UHFFFAOYSA-N
Compound name
trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.13828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14556 153.7
[M+Na]+ 275.12750 158.9
[M-H]- 251.13100 149.7
[M+NH4]+ 270.17210 169.0
[M+K]+ 291.10144 157.7
[M+H-H2O]+ 235.13554 147.8
[M+HCOO]- 297.13648 164.8
[M+CH3COO]- 311.15213 189.7
[M+Na-2H]- 273.11295 155.5
[M]+ 252.13773 145.2
[M]- 252.13883 145.2
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.