CID 72220382

3-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol

Structural Information

Molecular Formula
C12H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)C(=C2)OC
InChI
InChI=1S/C12H18BNO4/c1-11(2)12(3,4)18-13(17-11)8-6-9(16-5)10(15)14-7-8/h6-7H,1-5H3,(H,14,15)
InChIKey
NPKIDHAYGKGOCN-UHFFFAOYSA-N
Compound name
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13289 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14017 149.1
[M+Na]+ 274.12211 159.6
[M-H]- 250.12561 155.7
[M+NH4]+ 269.16671 168.2
[M+K]+ 290.09605 159.7
[M+H-H2O]+ 234.13015 144.4
[M+HCOO]- 296.13109 168.3
[M+CH3COO]- 310.14674 190.9
[M+Na-2H]- 272.10756 154.9
[M]+ 251.13234 153.3
[M]- 251.13344 153.3
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

No patent data available for this compound.