CID 78631

4-ethoxyphenylacetic acid

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CCOC1=CC=C(C=C1)CC(=O)O

InChI

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

InChIKey

ZVVWZNFSMIFGEP-UHFFFAOYSA-N

Compound name

2-(4-ethoxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 636
Patents: 180.07864 Da
Monoisotopic Mass: 1.9
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]+	181.085916	137.0
[M+Na]+	203.067858	144.4
[M-H]-	179.071364	139.5
[M+NH4]+	198.112463	156.4
[M+K]+	219.041798	142.9
[M+H-H2O]+	163.075900	131.4
[M+HCOO]-	225.076841	159.7
[M+CH3COO]-	239.092491	178.9
[M+Na-2H]-	201.053306	142.3
[M]+	180.07809142	138.8
[M]-	180.07918858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe