CID 115618

3-(2-quinolyloxy)-1,2-propanediol

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

C1=CC=C2C(=C1)C=CC(=N2)OCC(CO)O

InChI

InChI=1S/C12H13NO3/c14-7-10(15)8-16-12-6-5-9-3-1-2-4-11(9)13-12/h1-6,10,14-15H,7-8H2

InChIKey

DHGDNDUPFCKHED-UHFFFAOYSA-N

Compound name

3-quinolin-2-yloxypropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 219.08954 Da
Monoisotopic Mass: 0.8
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]+	220.09682	147.2
[M+Na]+	242.07876	159.9
[M+NH4]+	237.12336	154.9
[M+K]+	258.05270	153.9
[M-H]-	218.08226	148.2
[M+Na-2H]-	240.06421	153.1
[M]+	219.08899	149.1
[M]-	219.09009	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe