CID 165793448

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.5]nonan-1-one

Structural Information

Molecular Formula
C15H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(=O)C23CCCCC3
InChI
InChI=1S/C15H25BO3/c1-13(2)14(3,4)19-16(18-13)11-10-12(17)15(11)8-6-5-7-9-15/h11H,5-10H2,1-4H3
InChIKey
ORZGVSNSJZWYMB-UHFFFAOYSA-N
Compound name
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.5]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19695 151.6
[M+Na]+ 287.17889 157.2
[M-H]- 263.18239 161.4
[M+NH4]+ 282.22349 167.5
[M+K]+ 303.15283 160.0
[M+H-H2O]+ 247.18693 144.5
[M+HCOO]- 309.18787 166.3
[M+CH3COO]- 323.20352 198.8
[M+Na-2H]- 285.16434 155.7
[M]+ 264.18912 158.8
[M]- 264.19022 158.8
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.