CID 19753583

4-cyclopropyloxane-2,6-dione

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C1CC1C2CC(=O)OC(=O)C2

InChI

InChI=1S/C8H10O3/c9-7-3-6(5-1-2-5)4-8(10)11-7/h5-6H,1-4H2

InChIKey

IBMKPMVLCLESSR-UHFFFAOYSA-N

Compound name

4-cyclopropyloxane-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.06299 Da
Monoisotopic Mass: 0.9
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]+	155.07027	132.2
[M+Na]+	177.05221	145.1
[M+NH4]+	172.09681	141.1
[M+K]+	193.02615	141.4
[M-H]-	153.05571	142.8
[M+Na-2H]-	175.03766	139.8
[M]+	154.06244	138.0
[M]-	154.06354	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe