CID 42553026

2-benzyloxy-3-hydroxypyridine

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1=CC=C(C=C1)COC2=C(C=CC=N2)O

InChI

InChI=1S/C12H11NO2/c14-11-7-4-8-13-12(11)15-9-10-5-2-1-3-6-10/h1-8,14H,9H2

InChIKey

BTQJWSSEBZRZKZ-UHFFFAOYSA-N

Compound name

2-phenylmethoxypyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 201.07898 Da
Monoisotopic Mass: 2.3
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]+	202.08626	141.9
[M+Na]+	224.06820	149.8
[M-H]-	200.07170	146.0
[M+NH4]+	219.11280	158.8
[M+K]+	240.04214	146.4
[M+H-H2O]+	184.07624	134.1
[M+HCOO]-	246.07718	164.6
[M+CH3COO]-	260.09283	181.3
[M+Na-2H]-	222.05365	150.0
[M]+	201.07843	142.1
[M]-	201.07953	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe