CID 3719149

2-(4-formylphenyl)-6-(hydroxymethyl)pyridine

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

C1=CC(=NC(=C1)C2=CC=C(C=C2)C=O)CO

InChI

InChI=1S/C13H11NO2/c15-8-10-4-6-11(7-5-10)13-3-1-2-12(9-16)14-13/h1-8,16H,9H2

InChIKey

RZHVETZHBRUIJF-UHFFFAOYSA-N

Compound name

4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.07898 Da
Monoisotopic Mass: 1.1
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]+	214.086256	145.3
[M+Na]+	236.068198	154.0
[M-H]-	212.071704	149.7
[M+NH4]+	231.112803	161.9
[M+K]+	252.042138	149.8
[M+H-H2O]+	196.076240	137.6
[M+HCOO]-	258.077181	167.8
[M+CH3COO]-	272.092831	184.6
[M+Na-2H]-	234.053646	152.1
[M]+	213.07843142	145.6
[M]-	213.07952858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe