CID 18616970

259209-17-1

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

53
Patents

168.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06667 131.9
[M+Na]+ 191.04861 143.0
[M+NH4]+ 186.09321 138.8
[M+K]+ 207.02255 139.4
[M-H]- 167.05211 131.6
[M+Na-2H]- 189.03406 136.5
[M]+ 168.05884 133.1
[M]- 168.05994 133.1
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