CID 45786003

2-hydroxypyridine-4-boronic acid, pinacol ester

Structural Information

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

78
Patents

221.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12961 142.6
[M+Na]+ 244.11155 152.8
[M-H]- 220.11505 149.0
[M+NH4]+ 239.15615 162.7
[M+K]+ 260.08549 152.5
[M+H-H2O]+ 204.11959 137.9
[M+HCOO]- 266.12053 162.0
[M+CH3COO]- 280.13618 184.5
[M+Na-2H]- 242.09700 149.4
[M]+ 221.12178 144.5
[M]- 221.12288 144.5
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