CID 5233015

246023-54-1

Structural Information

Molecular Formula
C9H13BO3
SMILES
B(C1=CC(=C(C=C1C)OC)C)(O)O
InChI
InChI=1S/C9H13BO3/c1-6-5-9(13-3)7(2)4-8(6)10(11)12/h4-5,11-12H,1-3H3
InChIKey
IUUWNGBWUJVQCF-UHFFFAOYSA-N
Compound name
(4-methoxy-2,5-dimethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
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

No literature data available for this compound.

Patent stripe

patents stripe