CID 137346824

2121511-99-5

Structural Information

Molecular Formula
C15H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2OC)C)OC
InChI
InChI=1S/C15H23BO4/c1-10-8-13(18-7)11(9-12(10)17-6)16-19-14(2,3)15(4,5)20-16/h8-9H,1-7H3
InChIKey
NWFJUDBLCJZELA-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-methylphenyl)-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 156.6
[M+Na]+ 301.15817 167.0
[M-H]- 277.16167 165.9
[M+NH4]+ 296.20277 177.1
[M+K]+ 317.13211 168.0
[M+H-H2O]+ 261.16621 152.7
[M+HCOO]- 323.16715 177.5
[M+CH3COO]- 337.18280 201.6
[M+Na-2H]- 299.14362 161.3
[M]+ 278.16840 164.3
[M]- 278.16950 164.3
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.