CID 165498125

4,4,5,5-tetramethyl-2-{6-methylspiro[2.5]octan-1-yl}-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC23CCC(CC3)C
InChI
InChI=1S/C15H27BO2/c1-11-6-8-15(9-7-11)10-12(15)16-17-13(2,3)14(4,5)18-16/h11-12H,6-10H2,1-5H3
InChIKey
RZGKDZJLPOGAEG-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(6-methylspiro[2.5]octan-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 153.9
[M+Na]+ 273.199618 162.5
[M-H]- 249.203124 164.5
[M+NH4]+ 268.244223 172.0
[M+K]+ 289.173558 164.4
[M+H-H2O]+ 233.207660 150.5
[M+HCOO]- 295.208601 168.5
[M+CH3COO]- 309.224251 197.5
[M+Na-2H]- 271.185066 158.3
[M]+ 250.20985142 156.2
[M]- 250.21094858 156.2
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.