CID 796726

5-benzyl-3-pyridinol

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

C1=CC=C(C=C1)CC2=CC(=CN=C2)O

InChI

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

InChIKey

BBQJCGXVQMUHAR-UHFFFAOYSA-N

Compound name

5-benzylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 0
Patents: 185.08406 Da
Monoisotopic Mass: 2.4
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]+	186.09134	139.7
[M+Na]+	208.07328	155.3
[M+NH4]+	203.11788	149.0
[M+K]+	224.04722	147.2
[M-H]-	184.07678	144.1
[M+Na-2H]-	206.05873	150.3
[M]+	185.08351	143.3
[M]-	185.08461	143.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.