CID 2734390

3,4,5-trimethoxybenzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1299
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

literature stripe

Patent stripe

patents stripe