CID 154712902

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

Structural Information

Molecular Formula
C12H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CC(C)C
InChI
InChI=1S/C12H23BO2/c1-9(2)8-10(3)13-14-11(4,5)12(6,7)15-13/h9H,3,8H2,1-2,4-7H3
InChIKey
ADNQSOFLDLTHMJ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-methylpent-1-en-2-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18639 145.1
[M+Na]+ 233.16833 152.4
[M-H]- 209.17183 150.0
[M+NH4]+ 228.21293 167.6
[M+K]+ 249.14227 153.8
[M+H-H2O]+ 193.17637 142.6
[M+HCOO]- 255.17731 163.0
[M+CH3COO]- 269.19296 190.3
[M+Na-2H]- 231.15378 148.5
[M]+ 210.17856 147.9
[M]- 210.17966 147.9
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.