CID 21388659

2-(propan-2-yloxy)pyridin-3-ol

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CC(C)OC1=C(C=CC=N1)O

InChI

InChI=1S/C8H11NO2/c1-6(2)11-8-7(10)4-3-5-9-8/h3-6,10H,1-2H3

InChIKey

AEKPFESCTCGDEA-UHFFFAOYSA-N

Compound name

2-propan-2-yloxypyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.07898 Da
Monoisotopic Mass: 1.6
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]+	154.08626	130.8
[M+Na]+	176.06820	143.4
[M+NH4]+	171.11280	138.8
[M+K]+	192.04214	138.1
[M-H]-	152.07170	131.7
[M+Na-2H]-	174.05365	137.3
[M]+	153.07843	132.8
[M]-	153.07953	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe