CID 167716350

3-(1,3-dioxolan-2-yl)cyclobutan-1-one

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1COC(O1)C2CC(=O)C2

InChI

InChI=1S/C7H10O3/c8-6-3-5(4-6)7-9-1-2-10-7/h5,7H,1-4H2

InChIKey

POXBTZPXOIPZEL-UHFFFAOYSA-N

Compound name

3-(1,3-dioxolan-2-yl)cyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.06299 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]+	143.070266	116.2
[M+Na]+	165.052208	121.5
[M-H]-	141.055714	123.9
[M+NH4]+	160.096813	130.2
[M+K]+	181.026148	126.6
[M+H-H2O]+	125.060250	107.1
[M+HCOO]-	187.061191	136.6
[M+CH3COO]-	201.076841	174.4
[M+Na-2H]-	163.037656	122.9
[M]+	142.06244142	124.3
[M]-	142.06353858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.