CID 165880387

En300-26871015

Structural Information

Molecular Formula
C12H22BF3NO2
SMILES
[B-](CCC1CCN(CC1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C12H22BF3NO2/c1-12(2,3)19-11(18)17-8-5-10(6-9-17)4-7-13(14,15)16/h10H,4-9H2,1-3H3/q-1
InChIKey
ILTZACBFSWYNRN-UHFFFAOYSA-N
Compound name
trifluoro-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17684 163.1
[M+Na]+ 303.15878 167.5
[M-H]- 279.16228 158.7
[M+NH4]+ 298.20338 177.3
[M+K]+ 319.13272 165.8
[M+H-H2O]+ 263.16682 156.9
[M+HCOO]- 325.16776 173.6
[M+CH3COO]- 339.18341 195.7
[M+Na-2H]- 301.14423 163.9
[M]+ 280.16901 155.3
[M]- 280.17011 155.3
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.