CID 165746250

Methyl 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate

Structural Information

Molecular Formula
C17H23BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC3=C2OCC3)CC(=O)OC
InChI
InChI=1S/C17H23BO5/c1-16(2)17(3,4)23-18(22-16)13-9-11(10-14(19)20-5)8-12-6-7-21-15(12)13/h8-9H,6-7,10H2,1-5H3
InChIKey
WCGMIQFEYRDFBI-UHFFFAOYSA-N
Compound name
methyl 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.16385 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.17113 169.5
[M+Na]+ 341.15307 178.3
[M-H]- 317.15657 179.5
[M+NH4]+ 336.19767 189.0
[M+K]+ 357.12701 179.5
[M+H-H2O]+ 301.16111 166.6
[M+HCOO]- 363.16205 186.9
[M+CH3COO]- 377.17770 206.5
[M+Na-2H]- 339.13852 172.4
[M]+ 318.16330 176.1
[M]- 318.16440 176.1
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.