CID 16217714

445264-61-9

Structural Information

Molecular Formula

C₁₂H₁₈BNO₃

SMILES

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

InChI

InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15-5)14-8-9/h6-8H,1-5H3

InChIKey

QOGNDJLSYMJGPP-UHFFFAOYSA-N

Compound name

2-methoxy-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: 541
Patents: 235.13797 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]+	236.14525	148.8
[M+Na]+	258.12719	161.6
[M+NH4]+	253.17179	159.4
[M+K]+	274.10113	154.8
[M-H]-	234.13069	154.0
[M+Na-2H]-	256.11264	157.0
[M]+	235.13742	152.5
[M]-	235.13852	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe