CID 145874728

4-ethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo(3,2-c)pyridine

Structural Information

Molecular Formula
C15H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(O2)C=CN=C3OCC
InChI
InChI=1S/C15H20BNO4/c1-6-18-13-10-9-12(19-11(10)7-8-17-13)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChIKey
YPWGYXFKXNEDDK-UHFFFAOYSA-N
Compound name
4-ethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15581 159.5
[M+Na]+ 312.13775 171.4
[M-H]- 288.14125 169.2
[M+NH4]+ 307.18235 179.3
[M+K]+ 328.11169 172.3
[M+H-H2O]+ 272.14579 155.3
[M+HCOO]- 334.14673 180.0
[M+CH3COO]- 348.16238 174.2
[M+Na-2H]- 310.12320 165.6
[M]+ 289.14798 168.8
[M]- 289.14908 168.8
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.