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

3
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

patents stripe