CID 165742083

En300-28345497

Structural Information

Molecular Formula
C11H18BF3NO2
SMILES
[B-](C1(CN(C1)C(=O)OC(C)(C)C)C2CC2)(F)(F)F
InChI
InChI=1S/C11H18BF3NO2/c1-10(2,3)18-9(17)16-6-11(7-16,8-4-5-8)12(13,14)15/h8H,4-7H2,1-3H3/q-1
InChIKey
VQIIEDZOLBKTPJ-UHFFFAOYSA-N
Compound name
[3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14556 156.3
[M+Na]+ 287.12750 163.1
[M-H]- 263.13100 157.0
[M+NH4]+ 282.17210 162.5
[M+K]+ 303.10144 164.0
[M+H-H2O]+ 247.13554 146.4
[M+HCOO]- 309.13648 168.4
[M+CH3COO]- 323.15213 198.0
[M+Na-2H]- 285.11295 159.0
[M]+ 264.13773 161.8
[M]- 264.13883 161.8
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.