CID 21963953

Azetidin-3-yl acetate hydrochloride

Structural Information

Molecular Formula

SMILES

CC(=O)OC1CNC1

InChI

InChI=1S/C5H9NO2/c1-4(7)8-5-2-6-3-5/h5-6H,2-3H2,1H3

InChIKey

FKSYYQMXMYAMOE-UHFFFAOYSA-N

Compound name

azetidin-3-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 115.06333 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]+	116.07061	121.3
[M+Na]+	138.05255	126.9
[M-H]-	114.05605	122.1
[M+NH4]+	133.09715	135.3
[M+K]+	154.02649	129.7
[M+H-H2O]+	98.060590	110.8
[M+HCOO]-	160.06153	140.7
[M+CH3COO]-	174.07718	169.1
[M+Na-2H]-	136.03800	126.9
[M]+	115.06278	128.1
[M]-	115.06388	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe