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]+ 251.21768 153.9
[M+Na]+ 273.19962 162.5
[M-H]- 249.20312 164.5
[M+NH4]+ 268.24422 172.0
[M+K]+ 289.17356 164.4
[M+H-H2O]+ 233.20766 150.5
[M+HCOO]- 295.20860 168.5
[M+CH3COO]- 309.22425 197.5
[M+Na-2H]- 271.18507 158.3
[M]+ 250.20985 156.2
[M]- 250.21095 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.