CID 1515239

98061-39-3

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

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

InChI

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

InChIKey

BESAKUXOHCFPAA-UHFFFAOYSA-N

Compound name

(4-pyridin-2-ylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 185.08406 Da
Monoisotopic Mass: 1.7
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