CID 3660944

Methyl 2-(4-methoxyphenyl)-2-oxoacetate

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

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

InChI

InChI=1S/C10H10O4/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6H,1-2H3

InChIKey

DDRPUCDBTNWIFK-UHFFFAOYSA-N

Compound name

methyl 2-(4-methoxyphenyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 194.0579 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]+	195.065176	137.9
[M+Na]+	217.047118	145.8
[M-H]-	193.050624	141.9
[M+NH4]+	212.091723	157.3
[M+K]+	233.021058	145.6
[M+H-H2O]+	177.055160	132.0
[M+HCOO]-	239.056101	161.5
[M+CH3COO]-	253.071751	182.9
[M+Na-2H]-	215.032566	142.6
[M]+	194.05735142	141.7
[M]-	194.05844858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe