CID 22894232

25141-50-8

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CCC1=CC(=C(C=C1)OCC(=O)O)OC

InChI

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

InChIKey

NHRKHTIKMJHHFY-UHFFFAOYSA-N

Compound name

2-(4-ethyl-2-methoxyphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 210.0892 Da
Monoisotopic Mass: 1.8
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]+	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

No literature data available for this compound.

Patent stripe

patents stripe