CID 28301

17131-52-1

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

COC1=CC=C(C=C1)OCC(CO)O

InChI

InChI=1S/C10H14O4/c1-13-9-2-4-10(5-3-9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3

InChIKey

UWZDUHTYIUMENV-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenoxy)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 198
Patents: 198.0892 Da
Monoisotopic Mass: 0.6
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]+	199.09648	142.0
[M+Na]+	221.07842	152.9
[M+NH4]+	216.12302	149.0
[M+K]+	237.05236	148.3
[M-H]-	197.08192	142.1
[M+Na-2H]-	219.06387	146.9
[M]+	198.08865	143.4
[M]-	198.08975	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe