CID 165770125

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.4]octan-1-one

Structural Information

Molecular Formula
C14H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(=O)C23CCCC3
InChI
InChI=1S/C14H23BO3/c1-12(2)13(3,4)18-15(17-12)10-9-11(16)14(10)7-5-6-8-14/h10H,5-9H2,1-4H3
InChIKey
OEDKRJNZEYSFJW-UHFFFAOYSA-N
Compound name
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.4]octan-3-one
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 146.1
[M+Na]+ 273.16325 152.6
[M-H]- 249.16675 156.5
[M+NH4]+ 268.20785 164.3
[M+K]+ 289.13719 155.0
[M+H-H2O]+ 233.17129 141.0
[M+HCOO]- 295.17223 163.3
[M+CH3COO]- 309.18788 195.8
[M+Na-2H]- 271.14870 149.7
[M]+ 250.17348 155.1
[M]- 250.17458 155.1
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.