CID 57497290

1137339-94-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

182.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08232 136.4
[M+Na]+ 205.06426 147.2
[M+NH4]+ 200.10886 143.1
[M+K]+ 221.03820 143.5
[M-H]- 181.06776 136.0
[M+Na-2H]- 203.04971 140.7
[M]+ 182.07449 137.5
[M]- 182.07559 137.5
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