CID 2760589

94838-82-1

Structural Information

Molecular Formula
C13H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)9-5-6-10-11(7-9)16-8-15-10/h5-7H,8H2,1-4H3
InChIKey
OZPPRBAFKGOJLZ-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

248.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12928 149.6
[M+Na]+ 271.11122 159.6
[M-H]- 247.11472 160.4
[M+NH4]+ 266.15582 170.5
[M+K]+ 287.08516 162.0
[M+H-H2O]+ 231.11926 147.2
[M+HCOO]- 293.12020 168.0
[M+CH3COO]- 307.13585 164.3
[M+Na-2H]- 269.09667 156.5
[M]+ 248.12145 155.0
[M]- 248.12255 155.0
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