CID 56604447

1349715-66-7

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC(=CC(=C1)C2=CN=C(C=C2)C#N)CO

InChI

InChI=1S/C13H10N2O/c14-7-13-5-4-12(8-15-13)11-3-1-2-10(6-11)9-16/h1-6,8,16H,9H2

InChIKey

SEHCLBAWERYHDQ-UHFFFAOYSA-N

Compound name

5-[3-(hydroxymethyl)phenyl]pyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 210.07932 Da
Monoisotopic Mass: 1.6
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]+	211.08660	148.2
[M+Na]+	233.06854	158.7
[M-H]-	209.07204	151.2
[M+NH4]+	228.11314	163.0
[M+K]+	249.04248	152.9
[M+H-H2O]+	193.07658	134.1
[M+HCOO]-	255.07752	166.6
[M+CH3COO]-	269.09317	159.1
[M+Na-2H]-	231.05399	154.0
[M]+	210.07877	142.4
[M]-	210.07987	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe