CID 165604960

3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C14H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CC(=O)C23CCC3)C
InChI
InChI=1S/C14H23BO3/c1-11(2)12(3,4)18-15(17-11)13(5)9-10(16)14(13)7-6-8-14/h6-9H2,1-5H3
InChIKey
QRYQFCRBPQXZRG-UHFFFAOYSA-N
Compound name
3-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-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 140.0
[M+Na]+ 273.16325 145.9
[M-H]- 249.16675 150.3
[M+NH4]+ 268.20785 151.5
[M+K]+ 289.13719 150.9
[M+H-H2O]+ 233.17129 132.9
[M+HCOO]- 295.17223 155.2
[M+CH3COO]- 309.18788 205.2
[M+Na-2H]- 271.14870 146.2
[M]+ 250.17348 158.4
[M]- 250.17458 158.4
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.