CID 2307798

3710-50-7

Structural Information

Molecular Formula

C₁₃H₁₄O₄

SMILES

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

InChI

InChI=1S/C13H14O4/c1-4-16-13(14)12-8(2)10-7-9(15-3)5-6-11(10)17-12/h5-7H,4H2,1-3H3

InChIKey

DAETWRKPSJXAJB-UHFFFAOYSA-N

Compound name

ethyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 234.0892 Da
Monoisotopic Mass: 3.2
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]+	235.09648	148.6
[M+Na]+	257.07842	162.0
[M+NH4]+	252.12302	156.5
[M+K]+	273.05236	158.3
[M-H]-	233.08192	151.3
[M+Na-2H]-	255.06387	153.4
[M]+	234.08865	151.3
[M]-	234.08975	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe