CID 53801478

3-methoxy-2-methylbenzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

166.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.087396 131.9
[M+Na]+ 189.069338 140.1
[M-H]- 165.072844 133.5
[M+NH4]+ 184.113943 151.6
[M+K]+ 205.043278 138.6
[M+H-H2O]+ 149.077380 127.0
[M+HCOO]- 211.078321 153.3
[M+CH3COO]- 225.093971 174.7
[M+Na-2H]- 187.054786 136.8
[M]+ 166.07957142 132.5
[M]- 166.08066858 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

No literature data available for this compound.

Patent stripe

patents stripe