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 170.0
[M+Na]+ 333.13296 174.7
[M-H]- 309.13646 166.5
[M+NH4]+ 328.17756 178.6
[M+K]+ 349.10690 177.2
[M+H-H2O]+ 293.14100 160.3
[M+HCOO]- 355.14194 181.1
[M+CH3COO]- 369.15759 202.7
[M+Na-2H]- 331.11841 171.0
[M]+ 310.14319 176.1
[M]- 310.14429 176.1
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.