CID 57982716

950483-20-2

Structural Information

Molecular Formula
C13H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CN=CC=C2
InChI
InChI=1S/C13H18BNO2/c1-12(2)13(3,4)17-14(16-12)8-7-11-6-5-9-15-10-11/h5-10H,1-4H3/b8-7+
InChIKey
XUKWNEMIMBQPEB-BQYQJAHWSA-N
Compound name
3-[(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

40
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

No literature data available for this compound.

Patent stripe

patents stripe