CID 68825

Guaietolin

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

CCOC1=CC=CC=C1OCC(CO)O

InChI

InChI=1S/C11H16O4/c1-2-14-10-5-3-4-6-11(10)15-8-9(13)7-12/h3-6,9,12-13H,2,7-8H2,1H3

InChIKey

XLOYQLAMNLMXCE-UHFFFAOYSA-N

Compound name

3-(2-ethoxyphenoxy)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 212.10486 Da
Monoisotopic Mass: 1.8
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]+	213.11214	146.5
[M+Na]+	235.09408	157.1
[M+NH4]+	230.13868	153.3
[M+K]+	251.06802	152.3
[M-H]-	211.09758	146.6
[M+Na-2H]-	233.07953	151.1
[M]+	212.10431	147.8
[M]-	212.10541	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe