CID 132398626

Potassium tert-butyl n-[3-(trifluoroboranuidyl)propyl]carbamate

Structural Information

Molecular Formula
C8H16BF3NO2
SMILES
[B-](CCCNC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C8H16BF3NO2/c1-8(2,3)15-7(14)13-6-4-5-9(10,11)12/h4-6H2,1-3H3,(H,13,14)/q-1
InChIKey
KMZAAXAVVSKRBB-UHFFFAOYSA-N
Compound name
trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12990 150.0
[M+Na]+ 249.11184 154.5
[M+NH4]+ 244.15644 153.2
[M+K]+ 265.08578 152.6
[M-H]- 225.11534 143.1
[M+Na-2H]- 247.09729 149.3
[M]+ 226.12207 147.9
[M]- 226.12317 147.9
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.