CID 46736892

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine

Structural Information

Molecular Formula
C13H16BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CO3)N=C2
InChI
InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-7-11-10(15-8-9)5-6-16-11/h5-8H,1-4H3
InChIKey
GSSJAXUDJLCMNO-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

245.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12961 147.9
[M+Na]+ 268.11155 159.9
[M-H]- 244.11505 157.6
[M+NH4]+ 263.15615 169.2
[M+K]+ 284.08549 160.7
[M+H-H2O]+ 228.11959 143.7
[M+HCOO]- 290.12053 168.9
[M+CH3COO]- 304.13618 163.2
[M+Na-2H]- 266.09700 155.3
[M]+ 245.12178 154.6
[M]- 245.12288 154.6
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