CID 141688027

Dimethyl 2-formyl-3-oxopentanedioate

Structural Information

Molecular Formula

C₈H₁₀O₆

SMILES

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

InChI

InChI=1S/C8H10O6/c1-13-7(11)3-6(10)5(4-9)8(12)14-2/h4-5H,3H2,1-2H3

InChIKey

ZAEVVKOCEFWDHV-UHFFFAOYSA-N

Compound name

dimethyl 2-formyl-3-oxopentanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 202.04774 Da
Monoisotopic Mass: -0.3
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]+	203.05502	141.4
[M+Na]+	225.03696	148.5
[M+NH4]+	220.08156	145.4
[M+K]+	241.01090	147.3
[M-H]-	201.04046	136.9
[M+Na-2H]-	223.02241	141.4
[M]+	202.04719	140.4
[M]-	202.04829	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe