CID 217155

38186-81-1

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

C1=CC=C(C=C1)CC2=C(C=CC=N2)O

InChI

InChI=1S/C12H11NO/c14-12-7-4-8-13-11(12)9-10-5-2-1-3-6-10/h1-8,14H,9H2

InChIKey

HCYPLVRCMKMBOZ-UHFFFAOYSA-N

Compound name

2-benzylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 185.08406 Da
Monoisotopic Mass: 2.5
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]+	186.091336	138.5
[M+Na]+	208.073278	146.6
[M-H]-	184.076784	142.7
[M+NH4]+	203.117883	156.2
[M+K]+	224.047218	142.6
[M+H-H2O]+	168.081320	131.1
[M+HCOO]-	230.082261	161.1
[M+CH3COO]-	244.097911	151.6
[M+Na-2H]-	206.058726	146.7
[M]+	185.08351142	137.4
[M]-	185.08460858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe