CID 44755161

1072952-41-0

Structural Information

Molecular Formula

C₁₂H₁₂BNO₃

SMILES

B(C1=C(N=CC=C1)OCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C12H12BNO3/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h1-8,15-16H,9H2

InChIKey

YTIGWZQYGHOXOB-UHFFFAOYSA-N

Compound name

(2-phenylmethoxypyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 86
Patents: 229.09102 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]+	230.09830	149.9
[M+Na]+	252.08024	163.4
[M+NH4]+	247.12484	157.4
[M+K]+	268.05418	157.4
[M-H]-	228.08374	152.5
[M+Na-2H]-	250.06569	158.3
[M]+	229.09047	152.5
[M]-	229.09157	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe