CID 71270309

1425045-01-7

Structural Information

Molecular Formula
C13H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C(=C2)C)C
InChI
InChI=1S/C13H20BNO3/c1-9-7-10(8-15(6)11(9)16)14-17-12(2,3)13(4,5)18-14/h7-8H,1-6H3
InChIKey
WYLZKEAKTKRGKT-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 151.7
[M+Na]+ 272.14285 165.1
[M+NH4]+ 267.18745 161.9
[M+K]+ 288.11679 158.5
[M-H]- 248.14635 156.8
[M+Na-2H]- 270.12830 159.2
[M]+ 249.15308 155.5
[M]- 249.15418 155.5
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