CID 58070386

1349151-98-9

Structural Information

Molecular Formula
C14H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)C(C)C
InChI
InChI=1S/C14H22BNO3/c1-10(2)16-9-11(7-8-12(16)17)15-18-13(3,4)14(5,6)19-15/h7-10H,1-6H3
InChIKey
MPMZBWLBVFEODR-UHFFFAOYSA-N
Compound name
1-propan-2-yl-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

115
Patents

263.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17656 156.7
[M+Na]+ 286.15850 169.1
[M+NH4]+ 281.20310 166.5
[M+K]+ 302.13244 162.8
[M-H]- 262.16200 161.4
[M+Na-2H]- 284.14395 163.8
[M]+ 263.16873 160.2
[M]- 263.16983 160.2
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