CID 151727

13057-65-3

Structural Information

Molecular Formula

C₁₀H₁₂O₅

SMILES

COC1=CC=CC=C1OCC(C(=O)O)O

InChI

InChI=1S/C10H12O5/c1-14-8-4-2-3-5-9(8)15-6-7(11)10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13)

InChIKey

MXVBBOLVTSAHEX-UHFFFAOYSA-N

Compound name

2-hydroxy-3-(2-methoxyphenoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3
Patents: 212.06847 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]+	213.075746	143.4
[M+Na]+	235.057688	149.8
[M-H]-	211.061194	144.4
[M+NH4]+	230.102293	160.5
[M+K]+	251.031628	149.1
[M+H-H2O]+	195.065730	137.5
[M+HCOO]-	257.066671	163.9
[M+CH3COO]-	271.082321	181.5
[M+Na-2H]-	233.043136	147.0
[M]+	212.06792142	145.5
[M]-	212.06901858	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe