CID 152310

2-pyridylbenzylcarbinol

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

C1=CC=C(C(=C1)CCO)C2=CC=CC=N2

InChI

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

InChIKey

KNMZETOZKQXYFY-UHFFFAOYSA-N

Compound name

2-(2-pyridin-2-ylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 199.09972 Da
Monoisotopic Mass: 2.1
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	143.2
[M+Na]+	222.08894	150.8
[M-H]-	198.09244	147.2
[M+NH4]+	217.13354	160.2
[M+K]+	238.06288	146.5
[M+H-H2O]+	182.09698	135.5
[M+HCOO]-	244.09792	165.3
[M+CH3COO]-	258.11357	182.2
[M+Na-2H]-	220.07439	150.8
[M]+	199.09917	142.3
[M]-	199.10027	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe