CID 45789884

(5-formylpyridin-3-yl)boronic acid

Structural Information

Molecular Formula
C6H6BNO3
SMILES
B(C1=CC(=CN=C1)C=O)(O)O
InChI
InChI=1S/C6H6BNO3/c9-4-5-1-6(7(10)11)3-8-2-5/h1-4,10-11H
InChIKey
YLLYILYEIRFUKE-UHFFFAOYSA-N
Compound name
(5-formylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

151.04407 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05135 126.5
[M+Na]+ 174.03329 134.9
[M-H]- 150.03679 126.6
[M+NH4]+ 169.07789 145.0
[M+K]+ 190.00723 133.1
[M+H-H2O]+ 134.04133 120.8
[M+HCOO]- 196.04227 147.4
[M+CH3COO]- 210.05792 169.3
[M+Na-2H]- 172.01874 133.2
[M]+ 151.04352 125.8
[M]- 151.04462 125.8
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