CID 65333416

Ethyl 3-(oxan-3-yl)-3-oxopropanoate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CCOC(=O)CC(=O)C1CCCOC1

InChI

InChI=1S/C10H16O4/c1-2-14-10(12)6-9(11)8-4-3-5-13-7-8/h8H,2-7H2,1H3

InChIKey

PLYUNVCCQOPPQC-UHFFFAOYSA-N

Compound name

ethyl 3-(oxan-3-yl)-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.10486 Da
Monoisotopic Mass: 0.6
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]+	201.11214	144.6
[M+Na]+	223.09408	153.5
[M+NH4]+	218.13868	151.3
[M+K]+	239.06802	149.6
[M-H]-	199.09758	145.7
[M+Na-2H]-	221.07953	147.1
[M]+	200.10431	145.8
[M]-	200.10541	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe