CID 86014281

4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C11H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(C)C(C)C
InChI
InChI=1S/C11H23BO2/c1-8(2)9(3)12-13-10(4,5)11(6,7)14-12/h8-9H,1-7H3
InChIKey
ATYAARGZZDCIPP-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.18639 141.9
[M+Na]+ 221.16833 149.3
[M-H]- 197.17183 147.0
[M+NH4]+ 216.21293 165.0
[M+K]+ 237.14227 151.6
[M+H-H2O]+ 181.17637 139.6
[M+HCOO]- 243.17731 160.0
[M+CH3COO]- 257.19296 188.2
[M+Na-2H]- 219.15378 145.8
[M]+ 198.17856 145.0
[M]- 198.17966 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.