CID 66706599

1349734-00-4

Structural Information

Molecular Formula
C13H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)CC
InChI
InChI=1S/C13H20BNO3/c1-6-15-9-10(7-8-11(15)16)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
InChIKey
GARRLDCODNEYEC-UHFFFAOYSA-N
Compound name
1-ethyl-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

155
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 149.2
[M+Na]+ 272.14285 159.9
[M-H]- 248.14635 157.1
[M+NH4]+ 267.18745 169.3
[M+K]+ 288.11679 160.1
[M+H-H2O]+ 232.15089 144.3
[M+HCOO]- 294.15183 169.5
[M+CH3COO]- 308.16748 194.2
[M+Na-2H]- 270.12830 154.9
[M]+ 249.15308 154.1
[M]- 249.15418 154.1
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

patents stripe