CID 24722256

330551-16-1

Structural Information

Molecular Formula

C₁₂H₁₄O₅

SMILES

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

InChI

InChI=1S/C12H14O5/c1-4-17-12(14)11(13)8-5-9(15-2)7-10(6-8)16-3/h5-7H,4H2,1-3H3

InChIKey

ZNRUMEIEXZJLTP-UHFFFAOYSA-N

Compound name

ethyl 2-(3,5-dimethoxyphenyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 238.08412 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]+	239.09140	149.1
[M+Na]+	261.07334	157.0
[M-H]-	237.07684	153.1
[M+NH4]+	256.11794	167.0
[M+K]+	277.04728	157.0
[M+H-H2O]+	221.08138	142.9
[M+HCOO]-	283.08232	172.3
[M+CH3COO]-	297.09797	192.2
[M+Na-2H]-	259.05879	152.2
[M]+	238.08357	155.5
[M]-	238.08467	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe