CID 3043944

56392-15-5

Structural Information

Molecular Formula

C₁₂H₁₆O₅

SMILES

COCCC1=CC=C(C=C1)OCC(C(=O)O)O

InChI

InChI=1S/C12H16O5/c1-16-7-6-9-2-4-10(5-3-9)17-8-11(13)12(14)15/h2-5,11,13H,6-8H2,1H3,(H,14,15)

InChIKey

PQIWJWWULVHOAA-UHFFFAOYSA-N

Compound name

2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 240.09978 Da
Monoisotopic Mass: 1.0
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]+	241.10706	153.1
[M+Na]+	263.08900	162.7
[M+NH4]+	258.13360	158.6
[M+K]+	279.06294	158.9
[M-H]-	239.09250	152.1
[M+Na-2H]-	261.07445	156.5
[M]+	240.09923	153.8
[M]-	240.10033	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe