CID 165950534

Potassium ({1-[(tert-butoxy)carbonyl]-4-(methoxycarbonyl)piperidin-4-yl}methyl)trifluoroboranuide

Structural Information

Molecular Formula
C13H22BF3NO4
SMILES
[B-](CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC)(F)(F)F
InChI
InChI=1S/C13H22BF3NO4/c1-12(2,3)22-11(20)18-7-5-13(6-8-18,10(19)21-4)9-14(15,16)17/h5-9H2,1-4H3/q-1
InChIKey
KETIWFSITPOYHG-UHFFFAOYSA-N
Compound name
trifluoro-[[4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16668 169.8
[M+Na]+ 347.14862 174.6
[M-H]- 323.15212 165.6
[M+NH4]+ 342.19322 184.0
[M+K]+ 363.12256 174.1
[M+H-H2O]+ 307.15666 164.6
[M+HCOO]- 369.15760 179.6
[M+CH3COO]- 383.17325 201.5
[M+Na-2H]- 345.13407 171.1
[M]+ 324.15885 164.2
[M]- 324.15995 164.2
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.