CID 57416740

E-1224

Structural Information

Molecular Formula
C15H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=C(N=CC=C2)C(=O)C
InChI
InChI=1S/C15H20BNO3/c1-11(18)13-12(7-6-10-17-13)8-9-16-19-14(2,3)15(4,5)20-16/h6-10H,1-5H3/b9-8+
InChIKey
DAQLKAUMCVWOCH-CMDGGOBGSA-N
Compound name
1-[3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16091 160.8
[M+Na]+ 296.14285 172.8
[M+NH4]+ 291.18745 170.2
[M+K]+ 312.11679 165.9
[M-H]- 272.14635 165.2
[M+Na-2H]- 294.12830 167.7
[M]+ 273.15308 164.1
[M]- 273.15418 164.1
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

No patent data available for this compound.