CID 15259989

2-(3,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC(C)(C)C
InChI
InChI=1S/C12H25BO2/c1-10(2,3)8-9-13-14-11(4,5)12(6,7)15-13/h8-9H2,1-7H3
InChIKey
JAHKBUBFJVAEDA-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.20204 144.4
[M+Na]+ 235.18398 152.4
[M-H]- 211.18748 149.6
[M+NH4]+ 230.22858 167.3
[M+K]+ 251.15792 154.1
[M+H-H2O]+ 195.19202 142.5
[M+HCOO]- 257.19296 162.7
[M+CH3COO]- 271.20861 189.1
[M+Na-2H]- 233.16943 151.4
[M]+ 212.19421 148.8
[M]- 212.19531 148.8
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