CID 81817

2,5-dimethylphenoxyacetic acid

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

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

InChI

InChI=1S/C10H12O3/c1-7-3-4-8(2)9(5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

InChIKey

RSJMMLSDGNQOEO-UHFFFAOYSA-N

Compound name

2-(2,5-dimethylphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 25
Patents: 180.07864 Da
Monoisotopic Mass: 2.3
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]+	181.08592	137.3
[M+Na]+	203.06786	149.6
[M+NH4]+	198.11246	144.9
[M+K]+	219.04180	144.3
[M-H]-	179.07136	138.3
[M+Na-2H]-	201.05331	142.9
[M]+	180.07809	139.2
[M]-	180.07919	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe