CID 22118702

2-(1-benzofuran-2-yl)propanoic acid

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

CC(C1=CC2=CC=CC=C2O1)C(=O)O

InChI

InChI=1S/C11H10O3/c1-7(11(12)13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3,(H,12,13)

InChIKey

LTVQXCJIJREDGA-UHFFFAOYSA-N

Compound name

2-(1-benzofuran-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 190.06299 Da
Monoisotopic Mass: 2.4
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]+	191.07027	137.5
[M+Na]+	213.05221	150.1
[M+NH4]+	208.09681	145.8
[M+K]+	229.02615	147.1
[M-H]-	189.05571	140.0
[M+Na-2H]-	211.03766	142.8
[M]+	190.06244	139.9
[M]-	190.06354	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe