CID 22038367

214614-65-0

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

COC1=NC=C(C=C1)CCO

InChI

InChI=1S/C8H11NO2/c1-11-8-3-2-7(4-5-10)6-9-8/h2-3,6,10H,4-5H2,1H3

InChIKey

AKSMSASUBIOLME-UHFFFAOYSA-N

Compound name

2-(6-methoxy-3-pyridinyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 153.07898 Da
Monoisotopic Mass: 0.7
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]+	154.086256	130.3
[M+Na]+	176.068198	138.6
[M-H]-	152.071704	131.5
[M+NH4]+	171.112803	149.7
[M+K]+	192.042138	137.0
[M+H-H2O]+	136.076240	124.1
[M+HCOO]-	198.077181	152.9
[M+CH3COO]-	212.092831	173.4
[M+Na-2H]-	174.053646	138.0
[M]+	153.07843142	131.8
[M]-	153.07952858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe