CID 64982347

3-cyclobutanecarbonyloxolane

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CC(C1)C(=O)C2CCOC2

InChI

InChI=1S/C9H14O2/c10-9(7-2-1-3-7)8-4-5-11-6-8/h7-8H,1-6H2

InChIKey

CTCMLJPYZSTFSX-UHFFFAOYSA-N

Compound name

cyclobutyl(oxolan-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.09938 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]+	155.10666	126.8
[M+Na]+	177.08860	130.2
[M-H]-	153.09210	133.3
[M+NH4]+	172.13320	141.2
[M+K]+	193.06254	133.8
[M+H-H2O]+	137.09664	116.8
[M+HCOO]-	199.09758	146.2
[M+CH3COO]-	213.11323	177.9
[M+Na-2H]-	175.07405	130.6
[M]+	154.09883	132.5
[M]-	154.09993	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.