CID 66343

10538-49-5

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

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

InChI

InChI=1S/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)

InChIKey

JENQUCZZZGYHRW-UHFFFAOYSA-N

Compound name

3-(2,5-dimethoxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 141
Patents: 210.0892 Da
Monoisotopic Mass: 1.7
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]+	211.09648	144.8
[M+Na]+	233.07842	156.4
[M+NH4]+	228.12302	151.7
[M+K]+	249.05236	151.4
[M-H]-	209.08192	145.2
[M+Na-2H]-	231.06387	149.7
[M]+	210.08865	146.4
[M]-	210.08975	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe