CID 71698036

Potassium {1-[(t-butoxy)carbonyl]pyrrolidin-3-yltrifluoroboranuide

Structural Information

Molecular Formula
C9H16BF3NO2
SMILES
[B-](C1CCN(C1)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C9H16BF3NO2/c1-9(2,3)16-8(15)14-5-4-7(6-14)10(11,12)13/h7H,4-6H2,1-3H3/q-1
InChIKey
MMFBWBFDEMUSFK-UHFFFAOYSA-N
Compound name
trifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12990 149.8
[M+Na]+ 261.11184 156.3
[M-H]- 237.11534 146.3
[M+NH4]+ 256.15644 167.6
[M+K]+ 277.08578 155.3
[M+H-H2O]+ 221.11988 144.6
[M+HCOO]- 283.12082 163.4
[M+CH3COO]- 297.13647 186.3
[M+Na-2H]- 259.09729 151.1
[M]+ 238.12207 142.9
[M]- 238.12317 142.9
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.