CID 5076552

Methyl 4,4-dimethoxy-3-oxopentanoate

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

CC(C(=O)CC(=O)OC)(OC)OC

InChI

InChI=1S/C8H14O5/c1-8(12-3,13-4)6(9)5-7(10)11-2/h5H2,1-4H3

InChIKey

ZQFJOBUKEHFXKY-UHFFFAOYSA-N

Compound name

methyl 4,4-dimethoxy-3-oxopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 190.08412 Da
Monoisotopic Mass: 0.0
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]+	191.09140	139.8
[M+Na]+	213.07334	147.7
[M+NH4]+	208.11794	145.0
[M+K]+	229.04728	145.8
[M-H]-	189.07684	136.2
[M+Na-2H]-	211.05879	141.1
[M]+	190.08357	139.5
[M]-	190.08467	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe