CID 57497297

(5-formyl-2-methylphenyl)boronic acid

Structural Information

Molecular Formula
C8H9BO3
SMILES
B(C1=C(C=CC(=C1)C=O)C)(O)O
InChI
InChI=1S/C8H9BO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5,11-12H,1H3
InChIKey
VBQDWWUYMAWKHV-UHFFFAOYSA-N
Compound name
(5-formyl-2-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07175 132.1
[M+Na]+ 187.05369 144.1
[M+NH4]+ 182.09829 139.5
[M+K]+ 203.02763 139.4
[M-H]- 163.05719 132.6
[M+Na-2H]- 185.03914 137.4
[M]+ 164.06392 133.7
[M]- 164.06502 133.7
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