CID 165603125

4,4,5,5-tetramethyl-2-[3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-yl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C4COC4
InChI
InChI=1S/C14H23BO3/c1-11(2)12(3,4)18-15(17-11)14-7-13(8-14,9-14)10-5-16-6-10/h10H,5-9H2,1-4H3
InChIKey
FKZONEIYLQZCIO-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(oxetan-3-yl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.18131 155.3
[M+Na]+ 273.16325 157.3
[M-H]- 249.16675 163.7
[M+NH4]+ 268.20785 155.9
[M+K]+ 289.13719 164.4
[M+H-H2O]+ 233.17129 146.1
[M+HCOO]- 295.17223 162.3
[M+CH3COO]- 309.18788 232.9
[M+Na-2H]- 271.14870 159.6
[M]+ 250.17348 182.1
[M]- 250.17458 182.1
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.