CID 3868801

58583-72-5

Structural Information

Molecular Formula

C₁₂H₁₂O₃

SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)C

InChI

InChI=1S/C12H12O3/c1-3-14-10-6-4-5-9-7-11(8(2)13)15-12(9)10/h4-7H,3H2,1-2H3

InChIKey

VMJVQNUDBMVFAH-UHFFFAOYSA-N

Compound name

1-(7-ethoxy-1-benzofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 204.07864 Da
Monoisotopic Mass: 2.6
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]+	205.08592	141.0
[M+Na]+	227.06786	154.7
[M+NH4]+	222.11246	149.6
[M+K]+	243.04180	150.5
[M-H]-	203.07136	144.2
[M+Na-2H]-	225.05331	146.8
[M]+	204.07809	143.9
[M]-	204.07919	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe