CID 67252

2-ethoxybenzoic acid

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CCOC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)

InChIKey

XDZMPRGFOOFSBL-UHFFFAOYSA-N

Compound name

2-ethoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 4513
Patents: 166.06299 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]+	167.07027	133.2
[M+Na]+	189.05221	145.4
[M+NH4]+	184.09681	141.0
[M+K]+	205.02615	140.1
[M-H]-	165.05571	134.2
[M+Na-2H]-	187.03766	139.4
[M]+	166.06244	135.1
[M]-	166.06354	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe