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

47
Patents

231.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15035 148.3
[M+Na]+ 254.13229 157.3
[M-H]- 230.13579 155.3
[M+NH4]+ 249.17689 168.4
[M+K]+ 270.10623 156.9
[M+H-H2O]+ 214.14033 142.7
[M+HCOO]- 276.14127 168.3
[M+CH3COO]- 290.15692 188.9
[M+Na-2H]- 252.11774 154.8
[M]+ 231.14252 150.7
[M]- 231.14362 150.7
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