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]+ 257.13436 157.2
[M+Na]+ 279.11630 164.5
[M-H]- 255.11980 161.7
[M+NH4]+ 274.16090 173.0
[M+K]+ 295.09024 160.8
[M+H-H2O]+ 239.12434 150.3
[M+HCOO]- 301.12528 177.6
[M+CH3COO]- 315.14093 192.8
[M+Na-2H]- 277.10175 160.1
[M]+ 256.12653 158.1
[M]- 256.12763 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.