CID 165941874

En300-28244455

Structural Information

Molecular Formula
C12H20BF3NO4
SMILES
[B-](C1(CN(C1)C(=O)OC(C)(C)C)CC(=O)OCC)(F)(F)F
InChI
InChI=1S/C12H20BF3NO4/c1-5-20-9(18)6-12(13(14,15)16)7-17(8-12)10(19)21-11(2,3)4/h5-8H2,1-4H3/q-1
InChIKey
MWQCNZVOOLLFOW-UHFFFAOYSA-N
Compound name
[3-(2-ethoxy-2-oxoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14374 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15102 179.0
[M+Na]+ 333.13296 179.0
[M+NH4]+ 328.17756 178.0
[M+K]+ 349.10690 177.8
[M-H]- 309.13646 168.8
[M+Na-2H]- 331.11841 175.4
[M]+ 310.14319 174.3
[M]- 310.14429 174.3
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.