CID 165943780

En300-26871034

Structural Information

Molecular Formula
C12H23BF3N2O2
SMILES
[B-](CCCN1CCN(CC1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C12H23BF3N2O2/c1-12(2,3)20-11(19)18-9-7-17(8-10-18)6-4-5-13(14,15)16/h4-10H2,1-3H3/q-1
InChIKey
IQHZHBCJHMXRHD-UHFFFAOYSA-N
Compound name
trifluoro-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.18048 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18776 168.7
[M+Na]+ 318.16970 173.3
[M+NH4]+ 313.21430 171.1
[M+K]+ 334.14364 171.1
[M-H]- 294.17320 162.0
[M+Na-2H]- 316.15515 167.7
[M]+ 295.17993 166.6
[M]- 295.18103 166.6
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.