CID 167724677

Potassium tert-butyl n-[(1r)-1-(trifluoroboranuidyl)ethyl]carbamate

Structural Information

Molecular Formula
C7H14BF3NO2
SMILES
[B-]([C@H](C)NC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C7H14BF3NO2/c1-5(8(9,10)11)12-6(13)14-7(2,3)4/h5H,1-4H3,(H,12,13)/q-1/t5-/m0/s1
InChIKey
OCJNZOTVPPEOKF-YFKPBYRVSA-N
Compound name
trifluoro-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11424 141.7
[M+Na]+ 235.09618 148.1
[M-H]- 211.09968 136.7
[M+NH4]+ 230.14078 159.8
[M+K]+ 251.07012 148.1
[M+H-H2O]+ 195.10422 137.5
[M+HCOO]- 257.10516 157.9
[M+CH3COO]- 271.12081 185.9
[M+Na-2H]- 233.08163 144.8
[M]+ 212.10641 136.4
[M]- 212.10751 136.4
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.