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]+	155.070266	130.5
[M+Na]+	177.052208	139.7
[M-H]-	153.055714	138.9
[M+NH4]+	172.096813	145.6
[M+K]+	193.026148	139.1
[M+H-H2O]+	137.060250	124.4
[M+HCOO]-	199.061191	151.4
[M+CH3COO]-	213.076841	178.2
[M+Na-2H]-	175.037656	136.4
[M]+	154.06244142	131.5
[M]-	154.06353858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe