CID 45786034

2-(tetrahydrofuran-3-yloxy)pyridine-4-boronic acid pinacol ester

Structural Information

Molecular Formula
C15H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)OC3CCOC3
InChI
InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)11-5-7-17-13(9-11)19-12-6-8-18-10-12/h5,7,9,12H,6,8,10H2,1-4H3
InChIKey
QUFHRKDGXTWDSH-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

291.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17146 161.5
[M+Na]+ 314.15340 169.2
[M-H]- 290.15690 172.1
[M+NH4]+ 309.19800 179.2
[M+K]+ 330.12734 170.9
[M+H-H2O]+ 274.16144 156.5
[M+HCOO]- 336.16238 179.3
[M+CH3COO]- 350.17803 174.5
[M+Na-2H]- 312.13885 164.8
[M]+ 291.16363 164.7
[M]- 291.16473 164.7
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