CID 90076650

1562418-43-2

Structural Information

Molecular Formula
C15H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(O3)(C)C
InChI
InChI=1S/C15H21BO4/c1-13(2)14(3,4)20-16(19-13)10-7-8-11-12(9-10)18-15(5,6)17-11/h7-9H,1-6H3
InChIKey
FZAWWOQYPHIKQG-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-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

40
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 153.7
[M+Na]+ 299.14252 165.7
[M+NH4]+ 294.18712 166.0
[M+K]+ 315.11646 160.0
[M-H]- 275.14602 161.7
[M+Na-2H]- 297.12797 160.4
[M]+ 276.15275 158.4
[M]- 276.15385 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe