CID 21931520

355836-08-7

Structural Information

Molecular Formula
C9H13BO3
SMILES
B(C1=C(C=C(C=C1OC)C)C)(O)O
InChI
InChI=1S/C9H13BO3/c1-6-4-7(2)9(10(11)12)8(5-6)13-3/h4-5,11-12H,1-3H3
InChIKey
UFFAFBPZFGAMJJ-UHFFFAOYSA-N
Compound name
(2-methoxy-4,6-dimethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1112
Patents

180.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10306 136.9
[M+Na]+ 203.08500 149.1
[M+NH4]+ 198.12960 144.5
[M+K]+ 219.05894 144.4
[M-H]- 179.08850 137.7
[M+Na-2H]- 201.07045 142.0
[M]+ 180.09523 138.8
[M]- 180.09633 138.8
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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