CID 82017755

Potassium (4-{[(tert-butoxy)carbonyl]amino}cyclohexyl)trifluoroboranuide

Structural Information

Molecular Formula
C11H20BF3NO2
SMILES
[B-](C1CCC(CC1)NC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C11H20BF3NO2/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,17)/q-1
InChIKey
KBZVKGQSJZBPDP-UHFFFAOYSA-N
Compound name
trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.15393 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16121 157.1
[M+Na]+ 289.14315 161.0
[M-H]- 265.14665 154.1
[M+NH4]+ 284.18775 172.8
[M+K]+ 305.11709 159.5
[M+H-H2O]+ 249.15119 151.6
[M+HCOO]- 311.15213 170.1
[M+CH3COO]- 325.16778 194.8
[M+Na-2H]- 287.12860 158.6
[M]+ 266.15338 147.6
[M]- 266.15448 147.6
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.