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: 36
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]+	200.10700	144.7
[M+Na]+	222.08894	159.4
[M+NH4]+	217.13354	153.6
[M+K]+	238.06288	152.1
[M-H]-	198.09244	148.5
[M+Na-2H]-	220.07439	155.2
[M]+	199.09917	148.1
[M]-	199.10027	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe