CID 79661645

2246874-52-0

Structural Information

Molecular Formula
C15H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OCCC=C
InChI
InChI=1S/C15H22BNO3/c1-6-7-8-18-13-9-12(10-17-11-13)16-19-14(2,3)15(4,5)20-16/h6,9-11H,1,7-8H2,2-5H3
InChIKey
IGJLTACCJHSVRQ-UHFFFAOYSA-N
Compound name
3-but-3-enoxy-5-(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

275.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17656 161.5
[M+Na]+ 298.15850 173.7
[M+NH4]+ 293.20310 171.3
[M+K]+ 314.13244 166.1
[M-H]- 274.16200 166.4
[M+Na-2H]- 296.14395 168.8
[M]+ 275.16873 165.0
[M]- 275.16983 165.0
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.