CID 22831881

324570-25-4

Structural Information

Molecular Formula

C₉H₁₄O₄

SMILES

CCOC(=O)CC(=O)C1CCOC1

InChI

InChI=1S/C9H14O4/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h7H,2-6H2,1H3

InChIKey

ZBXPERMBEFSQSO-UHFFFAOYSA-N

Compound name

ethyl 3-oxo-3-(oxolan-3-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 186.0892 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]+	187.09648	141.2
[M+Na]+	209.07842	149.1
[M+NH4]+	204.12302	147.7
[M+K]+	225.05236	147.5
[M-H]-	185.08192	141.6
[M+Na-2H]-	207.06387	142.9
[M]+	186.08865	142.0
[M]-	186.08975	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe