CID 2734365

2-formyl-4-methoxybenzeneboronic acid

Structural Information

Molecular Formula
C8H9BO4
SMILES
B(C1=C(C=C(C=C1)OC)C=O)(O)O
InChI
InChI=1S/C8H9BO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5,11-12H,1H3
InChIKey
ZSSNGMFKYFBOAG-UHFFFAOYSA-N
Compound name
(2-formyl-4-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

346
Patents

180.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.066666 133.4
[M+Na]+ 203.048608 141.7
[M-H]- 179.052114 135.0
[M+NH4]+ 198.093213 152.4
[M+K]+ 219.022548 140.2
[M+H-H2O]+ 163.056650 128.2
[M+HCOO]- 225.057591 155.2
[M+CH3COO]- 239.073241 176.0
[M+Na-2H]- 201.034056 138.3
[M]+ 180.05884142 134.8
[M]- 180.05993858 134.8
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