CID 11310145

(1s)-1-phenyl-2-(pyridin-2-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

C1=CC=C(C=C1)[C@H](CC2=CC=CC=N2)O

InChI

InChI=1S/C13H13NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-9,13,15H,10H2/t13-/m0/s1

InChIKey

NPVKVVBMSCQGAS-ZDUSSCGKSA-N

Compound name

(1S)-1-phenyl-2-pyridin-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 199.09972 Da
Monoisotopic Mass: 2.0
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	143.5
[M+Na]+	222.088938	149.9
[M-H]-	198.092444	147.2
[M+NH4]+	217.133543	160.2
[M+K]+	238.062878	146.1
[M+H-H2O]+	182.096980	135.8
[M+HCOO]-	244.097921	164.7
[M+CH3COO]-	258.113571	182.0
[M+Na-2H]-	220.074386	150.7
[M]+	199.09917142	141.7
[M]-	199.10026858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe