CID 2773485

2-methoxy-5-methylphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

411
Patents

166.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08740 132.7
[M+Na]+ 189.06934 144.7
[M+NH4]+ 184.11394 140.5
[M+K]+ 205.04328 140.1
[M-H]- 165.07284 133.5
[M+Na-2H]- 187.05479 138.2
[M]+ 166.07957 134.5
[M]- 166.08067 134.5
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