CID 165747406

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-oxaspiro[3.5]nonan-1-one

Structural Information

Molecular Formula
C14H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(=O)C23CCOCC3
InChI
InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)10-9-11(16)14(10)5-7-17-8-6-14/h10H,5-9H2,1-4H3
InChIKey
LRYVQCCCCDVGPV-UHFFFAOYSA-N
Compound name
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-oxaspiro[3.5]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17623 147.8
[M+Na]+ 289.15817 153.6
[M-H]- 265.16167 158.3
[M+NH4]+ 284.20277 162.2
[M+K]+ 305.13211 158.3
[M+H-H2O]+ 249.16621 141.2
[M+HCOO]- 311.16715 162.1
[M+CH3COO]- 325.18280 198.4
[M+Na-2H]- 287.14362 153.6
[M]+ 266.16840 156.8
[M]- 266.16950 156.8
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.