CID 2759699

22027-50-5

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

COC1=CC=C(C=C1)C(=O)CC(=O)OC

InChI

InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-9)10(12)7-11(13)15-2/h3-6H,7H2,1-2H3

InChIKey

VXXOASOINNOPGR-UHFFFAOYSA-N

Compound name

methyl 3-(4-methoxyphenyl)-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 208.07356 Da
Monoisotopic Mass: 1.6
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]+	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