CID 21189121

Oxetan-3-yl acetate

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

CC(=O)OC1COC1

InChI

InChI=1S/C5H8O3/c1-4(6)8-5-2-7-3-5/h5H,2-3H2,1H3

InChIKey

YHJXPVYNNYIEDO-UHFFFAOYSA-N

Compound name

oxetan-3-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 116.04734 Da
Monoisotopic Mass: -0.2
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]+	117.05462	115.4
[M+Na]+	139.03656	121.3
[M-H]-	115.04006	119.8
[M+NH4]+	134.08116	130.2
[M+K]+	155.01050	126.6
[M+H-H2O]+	99.044600	105.8
[M+HCOO]-	161.04554	136.9
[M+CH3COO]-	175.06119	171.1
[M+Na-2H]-	137.02201	123.0
[M]+	116.04679	125.6
[M]-	116.04789	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe