CID 71447081

Dimethyl 2-(2-oxopropyl)butanedioate

Structural Information

Molecular Formula

C₉H₁₄O₅

SMILES

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

InChI

InChI=1S/C9H14O5/c1-6(10)4-7(9(12)14-3)5-8(11)13-2/h7H,4-5H2,1-3H3

InChIKey

ZAANTJBNDXMFCN-UHFFFAOYSA-N

Compound name

dimethyl 2-(2-oxopropyl)butanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 202.08412 Da
Monoisotopic Mass: -0.4
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]+	203.09140	144.0
[M+Na]+	225.07334	151.4
[M+NH4]+	220.11794	148.7
[M+K]+	241.04728	149.4
[M-H]-	201.07684	140.2
[M+Na-2H]-	223.05879	144.3
[M]+	202.08357	143.4
[M]-	202.08467	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe