CID 3716303

(2,6-dimethyl-4-methoxyphenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

180.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10306 135.8
[M+Na]+ 203.08500 144.5
[M-H]- 179.08850 137.6
[M+NH4]+ 198.12960 155.3
[M+K]+ 219.05894 142.8
[M+H-H2O]+ 163.09304 131.0
[M+HCOO]- 225.09398 156.8
[M+CH3COO]- 239.10963 179.0
[M+Na-2H]- 201.07045 139.5
[M]+ 180.09523 137.2
[M]- 180.09633 137.2
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

patents stripe