CID 139023967

4,4,5,5-tetramethyl-2-{spiro[2.6]nonan-1-yl}-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC23CCCCCC3
InChI
InChI=1S/C15H27BO2/c1-13(2)14(3,4)18-16(17-13)12-11-15(12)9-7-5-6-8-10-15/h12H,5-11H2,1-4H3
InChIKey
XRZQGZWFTSXXTA-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-spiro[2.6]nonan-2-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.2104 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21768 148.1
[M+Na]+ 273.19962 153.4
[M-H]- 249.20312 158.6
[M+NH4]+ 268.24422 164.1
[M+K]+ 289.17356 157.0
[M+H-H2O]+ 233.20766 143.9
[M+HCOO]- 295.20860 162.0
[M+CH3COO]- 309.22425 159.6
[M+Na-2H]- 271.18507 152.6
[M]+ 250.20985 146.3
[M]- 250.21095 146.3
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.