CID 521284

50551-58-1

Structural Information

Molecular Formula

C₁₂H₁₂O₄

SMILES

CCOC(=O)C1=CC2=C(O1)C(=CC=C2)OC

InChI

InChI=1S/C12H12O4/c1-3-15-12(13)10-7-8-5-4-6-9(14-2)11(8)16-10/h4-7H,3H2,1-2H3

InChIKey

SXCMZYVXJUJIDJ-UHFFFAOYSA-N

Compound name

ethyl 7-methoxy-1-benzofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 70
Patents: 220.07356 Da
Monoisotopic Mass: 2.8
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]+	221.08084	144.3
[M+Na]+	243.06278	157.6
[M+NH4]+	238.10738	152.4
[M+K]+	259.03672	153.9
[M-H]-	219.06628	147.1
[M+Na-2H]-	241.04823	149.6
[M]+	220.07301	147.0
[M]-	220.07411	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe