CID 129317607

2001079-59-8

Structural Information

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

23
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 147.9
[M+Na]+ 272.14285 159.5
[M-H]- 248.14635 156.1
[M+NH4]+ 267.18745 168.2
[M+K]+ 288.11679 159.7
[M+H-H2O]+ 232.15089 143.4
[M+HCOO]- 294.15183 168.1
[M+CH3COO]- 308.16748 195.4
[M+Na-2H]- 270.12830 153.1
[M]+ 249.15308 153.2
[M]- 249.15418 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