CID 2773486

(4-methoxy-2-methylphenyl)boronic acid

Structural Information

Molecular Formula
C8H11BO3
SMILES
B(C1=C(C=C(C=C1)OC)C)(O)O
InChI
InChI=1S/C8H11BO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,10-11H,1-2H3
InChIKey
AMSQNQJCBXQYEX-UHFFFAOYSA-N
Compound name
(4-methoxy-2-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

745
Patents

166.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08740 131.9
[M+Na]+ 189.06934 140.1
[M-H]- 165.07284 133.5
[M+NH4]+ 184.11394 151.6
[M+K]+ 205.04328 138.6
[M+H-H2O]+ 149.07738 127.0
[M+HCOO]- 211.07832 153.3
[M+CH3COO]- 225.09397 174.7
[M+Na-2H]- 187.05479 136.8
[M]+ 166.07957 132.5
[M]- 166.08067 132.5
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

patents stripe