CID 129946670

2-[3-methoxy-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)COC)OC
InChI
InChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)12-8-7-11(10-17-5)13(9-12)18-6/h7-9H,10H2,1-6H3
InChIKey
KXJBSSKOJYKQOG-UHFFFAOYSA-N
Compound name
2-[3-methoxy-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17623 158.1
[M+Na]+ 301.15817 167.5
[M-H]- 277.16167 167.0
[M+NH4]+ 296.20277 178.2
[M+K]+ 317.13211 168.5
[M+H-H2O]+ 261.16621 153.8
[M+HCOO]- 323.16715 178.9
[M+CH3COO]- 337.18280 200.3
[M+Na-2H]- 299.14362 163.2
[M]+ 278.16840 165.3
[M]- 278.16950 165.3
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.