CID 84063978

1-(oxetan-2-yl)ethan-1-one

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

CC(=O)C1CCO1

InChI

InChI=1S/C5H8O2/c1-4(6)5-2-3-7-5/h5H,2-3H2,1H3

InChIKey

SNKPYLCZGPGQNS-UHFFFAOYSA-N

Compound name

1-(oxetan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 100.05243 Da
Monoisotopic Mass: 0.0
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]+	101.05971	116.7
[M+Na]+	123.04165	123.1
[M+NH4]+	118.08625	121.2
[M+K]+	139.01559	120.9
[M-H]-	99.045154	116.0
[M+Na-2H]-	121.02710	119.1
[M]+	100.05188	116.1
[M]-	100.05298	116.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe