CID 11206266

2,3-quinolinedimethanol

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

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

InChI

InChI=1S/C11H11NO2/c13-6-9-5-8-3-1-2-4-10(8)12-11(9)7-14/h1-5,13-14H,6-7H2

InChIKey

UMELLZWPUHQWTB-UHFFFAOYSA-N

Compound name

[2-(hydroxymethyl)quinolin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 189.07898 Da
Monoisotopic Mass: 0.5
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]+	190.08626	139.2
[M+Na]+	212.06820	153.4
[M+NH4]+	207.11280	147.8
[M+K]+	228.04214	146.5
[M-H]-	188.07170	141.0
[M+Na-2H]-	210.05365	146.0
[M]+	189.07843	141.7
[M]-	189.07953	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe