CID 137964477

Methyl 2-oxo-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

Structural Information

Molecular Formula
C15H19BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)C(=O)OC
InChI
InChI=1S/C15H19BO5/c1-14(2)15(3,4)21-16(20-14)11-8-6-10(7-9-11)12(17)13(18)19-5/h6-9H,1-5H3
InChIKey
WJAUSKJDMMAHDQ-UHFFFAOYSA-N
Compound name
methyl 2-oxo-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13985 160.0
[M+Na]+ 313.12179 168.5
[M-H]- 289.12529 168.7
[M+NH4]+ 308.16639 179.0
[M+K]+ 329.09573 169.9
[M+H-H2O]+ 273.12983 155.9
[M+HCOO]- 335.13077 179.4
[M+CH3COO]- 349.14642 200.9
[M+Na-2H]- 311.10724 163.6
[M]+ 290.13202 165.6
[M]- 290.13312 165.6
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

No patent data available for this compound.