CID 86883

1-phenyl-1-(pyridin-2-yl)ethanol

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=N2)O

InChI

InChI=1S/C13H13NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-10,15H,1H3

InChIKey

JZSWVCNVNOZMFN-UHFFFAOYSA-N

Compound name

1-phenyl-1-pyridin-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 199.09972 Da
Monoisotopic Mass: 1.9
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]+	200.106996	143.8
[M+Na]+	222.088938	150.9
[M-H]-	198.092444	147.8
[M+NH4]+	217.133543	160.7
[M+K]+	238.062878	147.1
[M+H-H2O]+	182.096980	136.5
[M+HCOO]-	244.097921	164.4
[M+CH3COO]-	258.113571	181.5
[M+Na-2H]-	220.074386	152.7
[M]+	199.09917142	142.1
[M]-	199.10026858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe