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

55
Patents

151.04407 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05135 128.0
[M+Na]+ 174.03329 139.7
[M+NH4]+ 169.07789 134.9
[M+K]+ 190.00723 135.6
[M-H]- 150.03679 127.6
[M+Na-2H]- 172.01874 133.6
[M]+ 151.04352 129.3
[M]- 151.04462 129.3
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