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

40
Patents

182.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08232 135.6
[M+Na]+ 205.06426 143.2
[M-H]- 181.06776 135.7
[M+NH4]+ 200.10886 153.8
[M+K]+ 221.03820 141.3
[M+H-H2O]+ 165.07230 130.5
[M+HCOO]- 227.07324 155.6
[M+CH3COO]- 241.08889 174.4
[M+Na-2H]- 203.04971 139.9
[M]+ 182.07449 135.7
[M]- 182.07559 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