CID 3076607

131962-27-1

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

C1=CC=C(C=C1)C(COCC2=CN=CC=C2)O

InChI

InChI=1S/C14H15NO2/c16-14(13-6-2-1-3-7-13)11-17-10-12-5-4-8-15-9-12/h1-9,14,16H,10-11H2

InChIKey

GULBRJRQHKQNKP-UHFFFAOYSA-N

Compound name

1-phenyl-2-(pyridin-3-ylmethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11028 Da
Monoisotopic Mass: 1.3
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]+	230.117556	151.4
[M+Na]+	252.099498	157.2
[M-H]-	228.103004	154.9
[M+NH4]+	247.144103	166.7
[M+K]+	268.073438	153.7
[M+H-H2O]+	212.107540	143.1
[M+HCOO]-	274.108481	172.4
[M+CH3COO]-	288.124131	187.0
[M+Na-2H]-	250.084946	157.9
[M]+	229.10973142	151.3
[M]-	229.11082858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.