CID 119056985

[2-(benzyloxy)-3,5-dimethylphenyl]boronic acid

Structural Information

Molecular Formula
C15H17BO3
SMILES
B(C1=CC(=CC(=C1OCC2=CC=CC=C2)C)C)(O)O
InChI
InChI=1S/C15H17BO3/c1-11-8-12(2)15(14(9-11)16(17)18)19-10-13-6-4-3-5-7-13/h3-9,17-18H,10H2,1-2H3
InChIKey
OKJIARDHXVLZRP-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-2-phenylmethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.134356 157.2
[M+Na]+ 279.116298 164.5
[M-H]- 255.119804 161.7
[M+NH4]+ 274.160903 173.0
[M+K]+ 295.090238 160.8
[M+H-H2O]+ 239.124340 150.3
[M+HCOO]- 301.125281 177.6
[M+CH3COO]- 315.140931 192.8
[M+Na-2H]- 277.101746 160.1
[M]+ 256.12653142 158.1
[M]- 256.12762858 158.1
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.