CID 165998866

Potassium (2-{1-[(tert-butoxy)carbonyl]azetidin-2-yl}ethyl)trifluoroboranuide

Structural Information

Molecular Formula
C10H18BF3NO2
SMILES
[B-](CCC1CCN1C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C10H18BF3NO2/c1-10(2,3)17-9(16)15-7-5-8(15)4-6-11(12,13)14/h8H,4-7H2,1-3H3/q-1
InChIKey
NXZYEONJGXVHJW-UHFFFAOYSA-N
Compound name
trifluoro-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]ethyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.13828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14556 155.9
[M+Na]+ 275.12750 161.0
[M-H]- 251.13100 152.4
[M+NH4]+ 270.17210 165.1
[M+K]+ 291.10144 162.7
[M+H-H2O]+ 235.13554 145.2
[M+HCOO]- 297.13648 168.1
[M+CH3COO]- 311.15213 194.4
[M+Na-2H]- 273.11295 157.3
[M]+ 252.13773 159.7
[M]- 252.13883 159.7
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.