CID 74469

2,5-dimethoxyphenylacetic acid

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

COC1=CC(=C(C=C1)OC)CC(=O)O

InChI

InChI=1S/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

InChIKey

BBZDYQUXRFATHZ-UHFFFAOYSA-N

Compound name

2-(2,5-dimethoxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 376
Patents: 196.07356 Da
Monoisotopic Mass: 1.3
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]+	197.08084	140.3
[M+Na]+	219.06278	152.1
[M+NH4]+	214.10738	147.3
[M+K]+	235.03672	147.4
[M-H]-	195.06628	140.8
[M+Na-2H]-	217.04823	145.5
[M]+	196.07301	141.9
[M]-	196.07411	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe