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]+ 251.217676 148.1
[M+Na]+ 273.199618 153.4
[M-H]- 249.203124 158.6
[M+NH4]+ 268.244223 164.1
[M+K]+ 289.173558 157.0
[M+H-H2O]+ 233.207660 143.9
[M+HCOO]- 295.208601 162.0
[M+CH3COO]- 309.224251 159.6
[M+Na-2H]- 271.185066 152.6
[M]+ 250.20985142 146.3
[M]- 250.21094858 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.