CID 24208797

947191-69-7

Structural Information

Molecular Formula

C₁₅H₂₂BNO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCC3CC3

InChI

InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-7-8-13(17-9-12)18-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3

InChIKey

QEQNYJUPYICBCR-UHFFFAOYSA-N

Compound name

2-(cyclopropylmethoxy)-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: 89
Patents: 275.16928 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.176556	160.7
[M+Na]+	298.158498	170.8
[M-H]-	274.162004	171.5
[M+NH4]+	293.203103	174.3
[M+K]+	314.132438	171.7
[M+H-H2O]+	258.166540	154.9
[M+HCOO]-	320.167481	179.3
[M+CH3COO]-	334.183131	200.7
[M+Na-2H]-	296.143946	165.7
[M]+	275.16873142	167.7
[M]-	275.16982858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe