CID 11435520

(2,4-dimethoxy-3-methylphenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09796 138.8
[M+Na]+ 219.07990 147.3
[M-H]- 195.08340 140.5
[M+NH4]+ 214.12450 157.5
[M+K]+ 235.05384 146.2
[M+H-H2O]+ 179.08794 133.6
[M+HCOO]- 241.08888 160.0
[M+CH3COO]- 255.10453 181.2
[M+Na-2H]- 217.06535 142.4
[M]+ 196.09013 141.6
[M]- 196.09123 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