CID 20514249

4-(4-methylpyridin-3-yl)phenol

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

CC1=C(C=NC=C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H11NO/c1-9-6-7-13-8-12(9)10-2-4-11(14)5-3-10/h2-8,14H,1H3

InChIKey

OHKVMBRWSSRDAP-UHFFFAOYSA-N

Compound name

4-(4-methyl-3-pyridinyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	138.4
[M+Na]+	208.073278	147.4
[M-H]-	184.076784	143.0
[M+NH4]+	203.117883	156.4
[M+K]+	224.047218	143.5
[M+H-H2O]+	168.081320	131.2
[M+HCOO]-	230.082261	160.9
[M+CH3COO]-	244.097911	180.3
[M+Na-2H]-	206.058726	145.8
[M]+	185.08351142	137.7
[M]-	185.08460858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe