CID 18936507

(2,6-dimethoxy-4-methylphenyl)boronic acid

Structural Information

Molecular Formula
C9H13BO4
SMILES
B(C1=C(C=C(C=C1OC)C)OC)(O)O
InChI
InChI=1S/C9H13BO4/c1-6-4-7(13-2)9(10(11)12)8(5-6)14-3/h4-5,11-12H,1-3H3
InChIKey
KYPCCSCZXRYUAE-UHFFFAOYSA-N
Compound name
(2,6-dimethoxy-4-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

196.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097956 138.8
[M+Na]+ 219.079898 147.3
[M-H]- 195.083404 140.5
[M+NH4]+ 214.124503 157.5
[M+K]+ 235.053838 146.2
[M+H-H2O]+ 179.087940 133.6
[M+HCOO]- 241.088881 160.0
[M+CH3COO]- 255.104531 181.2
[M+Na-2H]- 217.065346 142.4
[M]+ 196.09013142 141.6
[M]- 196.09122858 141.6
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