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 158.3
[M+Na]+ 296.14285 167.3
[M-H]- 272.14635 165.6
[M+NH4]+ 291.18745 176.9
[M+K]+ 312.11679 167.0
[M+H-H2O]+ 256.15089 153.0
[M+HCOO]- 318.15183 177.1
[M+CH3COO]- 332.16748 198.3
[M+Na-2H]- 294.12830 162.4
[M]+ 273.15308 162.1
[M]- 273.15418 162.1
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.