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

6
Patents

274.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15614 152.0
[M+Na]+ 297.13808 164.3
[M-H]- 273.14158 158.1
[M+NH4]+ 292.18268 168.9
[M+K]+ 313.11202 162.0
[M+H-H2O]+ 257.14612 139.7
[M+HCOO]- 319.14706 168.6
[M+CH3COO]- 333.16271 209.4
[M+Na-2H]- 295.12353 157.2
[M]+ 274.14831 152.2
[M]- 274.14941 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