CID 45786033

2-(cyclopentoxy)pyridine-4-boronic acid pinacol ester

Structural Information

Molecular Formula
C16H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)OC3CCCC3
InChI
InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)12-9-10-18-14(11-12)19-13-7-5-6-8-13/h9-11,13H,5-8H2,1-4H3
InChIKey
FBYBLWSHAHEVOW-UHFFFAOYSA-N
Compound name
2-cyclopentyloxy-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

0
Patents

289.18494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19222 163.3
[M+Na]+ 312.17416 170.6
[M-H]- 288.17766 173.2
[M+NH4]+ 307.21876 182.5
[M+K]+ 328.14810 170.6
[M+H-H2O]+ 272.18220 157.6
[M+HCOO]- 334.18314 181.6
[M+CH3COO]- 348.19879 199.3
[M+Na-2H]- 310.15961 165.2
[M]+ 289.18439 164.8
[M]- 289.18549 164.8
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.