CID 10682603

4-(benzyloxy)-3-methoxybenzeneboronic acid

Structural Information

Molecular Formula
C14H15BO4
SMILES
B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)(O)O
InChI
InChI=1S/C14H15BO4/c1-18-14-9-12(15(16)17)7-8-13(14)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
InChIKey
PBVVDNNISDIUSU-UHFFFAOYSA-N
Compound name
(3-methoxy-4-phenylmethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

258.10635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11363 156.0
[M+Na]+ 281.09557 162.6
[M-H]- 257.09907 160.2
[M+NH4]+ 276.14017 171.3
[M+K]+ 297.06951 159.7
[M+H-H2O]+ 241.10361 148.7
[M+HCOO]- 303.10455 176.9
[M+CH3COO]- 317.12020 190.8
[M+Na-2H]- 279.08102 160.2
[M]+ 258.10580 157.5
[M]- 258.10690 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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