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 168.2
[M+Na]+ 318.16970 172.5
[M-H]- 294.17320 162.4
[M+NH4]+ 313.21430 180.4
[M+K]+ 334.14364 170.6
[M+H-H2O]+ 278.17774 160.9
[M+HCOO]- 340.17868 177.3
[M+CH3COO]- 354.19433 198.4
[M+Na-2H]- 316.15515 169.0
[M]+ 295.17993 160.8
[M]- 295.18103 160.8
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.