CID 785374

7287-51-6

Structural Information

Molecular Formula

C₁₃H₁₄O₄

SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C

InChI

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

InChIKey

JTVBUFPPKSXXJT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.0892 Da
Monoisotopic Mass: 2.9
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]+	235.096476	148.6
[M+Na]+	257.078418	159.4
[M-H]-	233.081924	155.1
[M+NH4]+	252.123023	168.9
[M+K]+	273.052358	158.8
[M+H-H2O]+	217.086460	143.4
[M+HCOO]-	279.087401	173.1
[M+CH3COO]-	293.103051	191.5
[M+Na-2H]-	255.063866	154.2
[M]+	234.08865142	157.2
[M]-	234.08974858	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe