CID 53217136

882679-40-5

Structural Information

Molecular Formula
C15H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)OC)C
InChI
InChI=1S/C15H21BO4/c1-10-7-8-11(13(17)18-6)9-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
InChIKey
HAPIXNBOBZHNCA-UHFFFAOYSA-N
Compound name
methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

476
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 159.3
[M+Na]+ 299.14252 171.2
[M+NH4]+ 294.18712 169.2
[M+K]+ 315.11646 165.0
[M-H]- 275.14602 164.3
[M+Na-2H]- 297.12797 166.2
[M]+ 276.15275 162.8
[M]- 276.15385 162.8
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