CID 165593421

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

Structural Information

Molecular Formula
C14H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CC(=O)C23CCC3
InChI
InChI=1S/C14H23BO3/c1-12(2)13(3,4)18-15(17-12)9-10-8-11(16)14(10)6-5-7-14/h10H,5-9H2,1-4H3
InChIKey
UIYQIWHLIRJIKT-UHFFFAOYSA-N
Compound name
1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]spiro[3.3]heptan-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 139.8
[M+Na]+ 273.16325 144.8
[M-H]- 249.16675 149.7
[M+NH4]+ 268.20785 149.5
[M+K]+ 289.13719 150.0
[M+H-H2O]+ 233.17129 131.1
[M+HCOO]- 295.17223 155.0
[M+CH3COO]- 309.18788 205.2
[M+Na-2H]- 271.14870 144.9
[M]+ 250.17348 157.8
[M]- 250.17458 157.8
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.