CID 15719

3-methoxyphenylacetic acid

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

COC1=CC=CC(=C1)CC(=O)O

InChI

InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

LEGPZHPSIPPYIO-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 1766
Patents: 166.06299 Da
Monoisotopic Mass: 1.5
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]+	167.07027	133.2
[M+Na]+	189.05221	145.4
[M+NH4]+	184.09681	141.0
[M+K]+	205.02615	140.1
[M-H]-	165.05571	134.2
[M+Na-2H]-	187.03766	139.4
[M]+	166.06244	135.1
[M]-	166.06354	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe