CID 22341466

4-formyl-3-methylphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07175 130.5
[M+Na]+ 187.05369 139.0
[M-H]- 163.05719 132.1
[M+NH4]+ 182.09829 150.2
[M+K]+ 203.02763 136.9
[M+H-H2O]+ 147.06173 125.7
[M+HCOO]- 209.06267 152.1
[M+CH3COO]- 223.07832 173.9
[M+Na-2H]- 185.03914 135.4
[M]+ 164.06392 130.4
[M]- 164.06502 130.4
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