CID 59535215

5-hydroxypyridine-3-boronic acid pinacol ester

Structural Information

Molecular Formula
C11H16BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)O
InChI
InChI=1S/C11H16BNO3/c1-10(2)11(3,4)16-12(15-10)8-5-9(14)7-13-6-8/h5-7,14H,1-4H3
InChIKey
YFHUGWJAGOEACU-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

221.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12961 143.3
[M+Na]+ 244.11155 153.3
[M-H]- 220.11505 149.7
[M+NH4]+ 239.15615 163.5
[M+K]+ 260.08549 153.6
[M+H-H2O]+ 204.11959 138.6
[M+HCOO]- 266.12053 162.5
[M+CH3COO]- 280.13618 185.2
[M+Na-2H]- 242.09700 150.1
[M]+ 221.12178 146.0
[M]- 221.12288 146.0
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