CID 72208460

161395-83-1

Structural Information

Molecular Formula
C13H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC=N2
InChI
InChI=1S/C13H18BNO2/c1-12(2)13(3,4)17-14(16-12)9-8-11-7-5-6-10-15-11/h5-10H,1-4H3/b9-8+
InChIKey
CTWJAXMMJWFSDO-CMDGGOBGSA-N
Compound name
2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15035 150.4
[M+Na]+ 254.13229 163.2
[M+NH4]+ 249.17689 161.1
[M+K]+ 270.10623 155.3
[M-H]- 230.13579 155.8
[M+Na-2H]- 252.11774 158.8
[M]+ 231.14252 154.1
[M]- 231.14362 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe