CID 46739572

3-cyano-2-ethoxypyridine-5-boronic acid, pinacol ester

Structural Information

Molecular Formula
C14H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OCC)C#N
InChI
InChI=1S/C14H19BN2O3/c1-6-18-12-10(8-16)7-11(9-17-12)15-19-13(2,3)14(4,5)20-15/h7,9H,6H2,1-5H3
InChIKey
PFKXCMXVFNDOFO-UHFFFAOYSA-N
Compound name
2-ethoxy-5-(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

14
Patents

274.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.156136 152.0
[M+Na]+ 297.138078 164.3
[M-H]- 273.141584 158.1
[M+NH4]+ 292.182683 168.9
[M+K]+ 313.112018 162.0
[M+H-H2O]+ 257.146120 139.7
[M+HCOO]- 319.147061 168.6
[M+CH3COO]- 333.162711 209.4
[M+Na-2H]- 295.123526 157.2
[M]+ 274.14831142 152.2
[M]- 274.14940858 152.2
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