CID 1531700

53498-60-5

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CC(C)(C(=O)O)OC1=CC=CC=C1OC

InChI

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

InChIKey

JRPWOMJYKLHXSA-UHFFFAOYSA-N

Compound name

2-(2-methoxyphenoxy)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 210.0892 Da
Monoisotopic Mass: 2.0
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	144.2
[M+Na]+	233.07842	151.5
[M-H]-	209.08192	146.8
[M+NH4]+	228.12302	162.4
[M+K]+	249.05236	150.8
[M+H-H2O]+	193.08646	138.8
[M+HCOO]-	255.08740	165.1
[M+CH3COO]-	269.10305	184.3
[M+Na-2H]-	231.06387	149.8
[M]+	210.08865	147.4
[M]-	210.08975	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe