CID 13208922

2-(2-phenylethoxy)acetic acid

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

C1=CC=C(C=C1)CCOCC(=O)O

InChI

InChI=1S/C10H12O3/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)

InChIKey

JZTWVOXVRHTACR-UHFFFAOYSA-N

Compound name

2-(2-phenylethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 180.07864 Da
Monoisotopic Mass: 1.6
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	138.3
[M+Na]+	203.06786	149.8
[M+NH4]+	198.11246	145.9
[M+K]+	219.04180	144.0
[M-H]-	179.07136	139.1
[M+Na-2H]-	201.05331	144.3
[M]+	180.07809	140.0
[M]-	180.07919	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe