CID 17750467

5-cyanopyridine-2-boronic acid pinacol ester

Structural Information

Molecular Formula
C12H15BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-6-5-9(7-14)8-15-10/h5-6,8H,1-4H3
InChIKey
USYWPRFJTBASTH-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

230.12267 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12995 142.7
[M+Na]+ 253.11189 155.2
[M-H]- 229.11539 148.8
[M+NH4]+ 248.15649 161.0
[M+K]+ 269.08583 152.6
[M+H-H2O]+ 213.11993 130.4
[M+HCOO]- 275.12087 159.7
[M+CH3COO]- 289.13652 201.1
[M+Na-2H]- 251.09734 149.1
[M]+ 230.12212 140.6
[M]- 230.12322 140.6
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