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

238
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.160906 147.9
[M+Na]+ 272.142848 159.5
[M-H]- 248.146354 156.1
[M+NH4]+ 267.187453 168.2
[M+K]+ 288.116788 159.7
[M+H-H2O]+ 232.150890 143.4
[M+HCOO]- 294.151831 168.1
[M+CH3COO]- 308.167481 195.4
[M+Na-2H]- 270.128296 153.1
[M]+ 249.15308142 153.2
[M]- 249.15417858 153.2
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