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]+ 211.186386 145.1
[M+Na]+ 233.168328 152.4
[M-H]- 209.171834 150.0
[M+NH4]+ 228.212933 167.6
[M+K]+ 249.142268 153.8
[M+H-H2O]+ 193.176370 142.6
[M+HCOO]- 255.177311 163.0
[M+CH3COO]- 269.192961 190.3
[M+Na-2H]- 231.153776 148.5
[M]+ 210.17856142 147.9
[M]- 210.17965858 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.