CID 49760399

(2-cyanopyridin-4-yl)boronic acid

Structural Information

Molecular Formula
C6H5BN2O2
SMILES
B(C1=CC(=NC=C1)C#N)(O)O
InChI
InChI=1S/C6H5BN2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3,10-11H
InChIKey
MSBPWGHYNOCHGC-UHFFFAOYSA-N
Compound name
(2-cyanopyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

148.0444 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05168 128.5
[M+Na]+ 171.03362 138.3
[M-H]- 147.03712 128.3
[M+NH4]+ 166.07822 145.2
[M+K]+ 187.00756 136.0
[M+H-H2O]+ 131.04166 116.2
[M+HCOO]- 193.04260 145.6
[M+CH3COO]- 207.05825 182.8
[M+Na-2H]- 169.01907 134.6
[M]+ 148.04385 122.0
[M]- 148.04495 122.0
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