CID 53216771

2096333-27-4

Structural Information

Molecular Formula
C16H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)C(=O)OC)C
InChI
InChI=1S/C16H23BO4/c1-10-8-12(9-11(2)13(10)14(18)19-7)17-20-15(3,4)16(5,6)21-17/h8-9H,1-7H3
InChIKey
VDELJAWMMVSPIE-UHFFFAOYSA-N
Compound name
methyl 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17623 159.9
[M+Na]+ 313.15817 169.9
[M-H]- 289.16167 169.2
[M+NH4]+ 308.20277 179.8
[M+K]+ 329.13211 170.7
[M+H-H2O]+ 273.16621 156.2
[M+HCOO]- 335.16715 179.6
[M+CH3COO]- 349.18280 204.1
[M+Na-2H]- 311.14362 163.0
[M]+ 290.16840 166.6
[M]- 290.16950 166.6
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.