CID 91390

Dimethyl (methoxymethyl)succinate

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

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

InChI

InChI=1S/C8H14O5/c1-11-5-6(8(10)13-3)4-7(9)12-2/h6H,4-5H2,1-3H3

InChIKey

HYPQWVMAJDZMLL-UHFFFAOYSA-N

Compound name

dimethyl 2-(methoxymethyl)butanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 190.08412 Da
Monoisotopic Mass: -0.2
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	139.9
[M+Na]+	213.07334	146.3
[M-H]-	189.07684	140.1
[M+NH4]+	208.11794	159.5
[M+K]+	229.04728	148.2
[M+H-H2O]+	173.08138	134.8
[M+HCOO]-	235.08232	161.8
[M+CH3COO]-	249.09797	182.6
[M+Na-2H]-	211.05879	142.4
[M]+	190.08357	145.8
[M]-	190.08467	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe