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

58
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071746 130.5
[M+Na]+ 187.053688 139.0
[M-H]- 163.057194 132.1
[M+NH4]+ 182.098293 150.2
[M+K]+ 203.027628 136.9
[M+H-H2O]+ 147.061730 125.7
[M+HCOO]- 209.062671 152.1
[M+CH3COO]- 223.078321 173.9
[M+Na-2H]- 185.039136 135.4
[M]+ 164.06392142 130.4
[M]- 164.06501858 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