CID 165950481

En300-28256649

Structural Information

Molecular Formula
C14H24BF3NO4
SMILES
[B-](C1(CCN(CC1)C(=O)OC(C)(C)C)CC(=O)OCC)(F)(F)F
InChI
InChI=1S/C14H24BF3NO4/c1-5-22-11(20)10-14(15(16,17)18)6-8-19(9-7-14)12(21)23-13(2,3)4/h5-10H2,1-4H3/q-1
InChIKey
ZRLFGSLPJQQBDI-UHFFFAOYSA-N
Compound name
[4-(2-ethoxy-2-oxoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.17505 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18233 174.4
[M+Na]+ 361.16427 178.8
[M-H]- 337.16777 170.1
[M+NH4]+ 356.20887 188.1
[M+K]+ 377.13821 178.1
[M+H-H2O]+ 321.17231 169.0
[M+HCOO]- 383.17325 183.9
[M+CH3COO]- 397.18890 204.5
[M+Na-2H]- 359.14972 175.2
[M]+ 338.17450 169.2
[M]- 338.17560 169.2
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.