CID 2773583

2,3,6-trimethoxybenzeneboronic acid

Structural Information

Molecular Formula
C9H13BO5
SMILES
B(C1=C(C=CC(=C1OC)OC)OC)(O)O
InChI
InChI=1S/C9H13BO5/c1-13-6-4-5-7(14-2)9(15-3)8(6)10(11)12/h4-5,11-12H,1-3H3
InChIKey
PBJYOPCURLYSAG-UHFFFAOYSA-N
Compound name
(2,3,6-trimethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

212.0856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09288 141.5
[M+Na]+ 235.07482 149.8
[M-H]- 211.07832 143.2
[M+NH4]+ 230.11942 159.4
[M+K]+ 251.04876 149.4
[M+H-H2O]+ 195.08286 136.0
[M+HCOO]- 257.08380 162.9
[M+CH3COO]- 271.09945 183.3
[M+Na-2H]- 233.06027 145.2
[M]+ 212.08505 145.8
[M]- 212.08615 145.8
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