CID 18616970

3-methoxy-2-hydroxyphenyl boronic acid

Structural Information

Molecular Formula
C7H9BO4
SMILES
B(C1=C(C(=CC=C1)OC)O)(O)O
InChI
InChI=1S/C7H9BO4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9-11H,1H3
InChIKey
BTYZWLYIOSFCJX-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

168.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06667 130.9
[M+Na]+ 191.04861 139.0
[M-H]- 167.05211 131.2
[M+NH4]+ 186.09321 149.7
[M+K]+ 207.02255 137.4
[M+H-H2O]+ 151.05665 126.1
[M+HCOO]- 213.05759 151.3
[M+CH3COO]- 227.07324 171.4
[M+Na-2H]- 189.03406 135.7
[M]+ 168.05884 130.7
[M]- 168.05994 130.7
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