CID 21724343

1-(oxan-3-yl)propan-2-one

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC(=O)CC1CCCOC1

InChI

InChI=1S/C8H14O2/c1-7(9)5-8-3-2-4-10-6-8/h8H,2-6H2,1H3

InChIKey

UIWCYXGMCFTTTC-UHFFFAOYSA-N

Compound name

1-(oxan-3-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 142.09938 Da
Monoisotopic Mass: 0.5
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]+	143.10666	130.6
[M+Na]+	165.08860	141.3
[M+NH4]+	160.13320	139.3
[M+K]+	181.06254	136.0
[M-H]-	141.09210	133.5
[M+Na-2H]-	163.07405	135.2
[M]+	142.09883	132.8
[M]-	142.09993	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe