CID 2758863

Ethyl 3-methoxybenzoylformate

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

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

InChI

InChI=1S/C11H12O4/c1-3-15-11(13)10(12)8-5-4-6-9(7-8)14-2/h4-7H,3H2,1-2H3

InChIKey

DWLYVLJKLZPOAW-UHFFFAOYSA-N

Compound name

ethyl 2-(3-methoxyphenyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 208.07356 Da
Monoisotopic Mass: 2.0
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]+	209.08084	143.8
[M+Na]+	231.06278	155.3
[M+NH4]+	226.10738	150.7
[M+K]+	247.03672	150.6
[M-H]-	207.06628	144.3
[M+Na-2H]-	229.04823	149.1
[M]+	208.07301	145.4
[M]-	208.07411	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe