CID 23093914

(2-isopropoxypyridin-4-yl)methanol

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CC(C)OC1=NC=CC(=C1)CO

InChI

InChI=1S/C9H13NO2/c1-7(2)12-9-5-8(6-11)3-4-10-9/h3-5,7,11H,6H2,1-2H3

InChIKey

HYBALJMVPJTQQE-UHFFFAOYSA-N

Compound name

(2-propan-2-yloxypyridin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 167.09464 Da
Monoisotopic Mass: 1.1
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]+	168.10192	135.3
[M+Na]+	190.08386	147.7
[M+NH4]+	185.12846	143.1
[M+K]+	206.05780	142.2
[M-H]-	166.08736	136.2
[M+Na-2H]-	188.06931	141.6
[M]+	167.09409	137.2
[M]-	167.09519	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe