CID 53407782

3-(hydroxymethyl)-4-methoxyphenylboronic acid

Structural Information

Molecular Formula
C8H11BO4
SMILES
B(C1=CC(=C(C=C1)OC)CO)(O)O
InChI
InChI=1S/C8H11BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-4,10-12H,5H2,1H3
InChIKey
DOQUCBSZQOPLGT-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)-4-methoxyphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

182.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.082316 135.6
[M+Na]+ 205.064258 143.2
[M-H]- 181.067764 135.7
[M+NH4]+ 200.108863 153.8
[M+K]+ 221.038198 141.3
[M+H-H2O]+ 165.072300 130.5
[M+HCOO]- 227.073241 155.6
[M+CH3COO]- 241.088891 174.4
[M+Na-2H]- 203.049706 139.9
[M]+ 182.07449142 135.7
[M]- 182.07558858 135.7
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