CID 10374759

156428-81-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
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

literature stripe

Patent stripe

patents stripe