CID 57422592

955929-54-1

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/c1-10-11(13(17)18-6)8-7-9-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
InChIKey
ZEWWIRVGQHLZJP-UHFFFAOYSA-N
Compound name
methyl 2-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

85
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 156.9
[M+Na]+ 299.14252 166.5
[M-H]- 275.14602 166.0
[M+NH4]+ 294.18712 177.1
[M+K]+ 315.11646 167.4
[M+H-H2O]+ 259.15056 153.0
[M+HCOO]- 321.15150 177.0
[M+CH3COO]- 335.16715 199.8
[M+Na-2H]- 297.12797 161.0
[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