CID 168111

2-methyl-2-(4-methylphenoxy)propanoic acid

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

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

InChIKey

OQUCRQLGCRZSBH-UHFFFAOYSA-N

Compound name

2-methyl-2-(4-methylphenoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 96
Patents: 194.0943 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]+	195.10158	141.1
[M+Na]+	217.08352	148.6
[M-H]-	193.08702	143.7
[M+NH4]+	212.12812	160.1
[M+K]+	233.05746	147.3
[M+H-H2O]+	177.09156	136.0
[M+HCOO]-	239.09250	161.9
[M+CH3COO]-	253.10815	182.2
[M+Na-2H]-	215.06897	146.7
[M]+	194.09375	142.8
[M]-	194.09485	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe