CID 84113977

1192772-97-6

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

InChI=1S/C11H14O3/c1-8-3-5-9(6-4-8)7-10(14-2)11(12)13/h3-6,10H,7H2,1-2H3,(H,12,13)

InChIKey

OUCZEAJAUUDUNB-UHFFFAOYSA-N

Compound name

2-methoxy-3-(4-methylphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.0943 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]+	195.10158	141.8
[M+Na]+	217.08352	148.5
[M-H]-	193.08702	144.1
[M+NH4]+	212.12812	160.6
[M+K]+	233.05746	147.2
[M+H-H2O]+	177.09156	136.1
[M+HCOO]-	239.09250	163.1
[M+CH3COO]-	253.10815	182.8
[M+Na-2H]-	215.06897	145.3
[M]+	194.09375	143.3
[M]-	194.09485	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe