CID 853573

13333-81-8

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)O)C

InChI

InChI=1S/C11H14O3/c1-7-4-8(2)11(9(3)5-7)14-6-10(12)13/h4-5H,6H2,1-3H3,(H,12,13)

InChIKey

TVYZUFZJRKBXTB-UHFFFAOYSA-N

Compound name

2-(2,4,6-trimethylphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 194.0943 Da
Monoisotopic Mass: 2.6
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]+	195.10158	141.4
[M+Na]+	217.08352	153.9
[M+NH4]+	212.12812	148.9
[M+K]+	233.05746	148.5
[M-H]-	193.08702	142.4
[M+Na-2H]-	215.06897	146.6
[M]+	194.09375	143.4
[M]-	194.09485	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe