CID 1516505

Azetidin-3-one hydrochloride

Structural Information

Molecular Formula

SMILES

C1C(=O)CN1

InChI

InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2

InChIKey

XPRVSYXHPUYSGF-UHFFFAOYSA-N

Compound name

azetidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1157
Patents: 71.03712 Da
Monoisotopic Mass: -0.6
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]+	72.044396	107.5
[M+Na]+	94.026338	114.3
[M-H]-	70.029844	108.6
[M+NH4]+	89.070943	123.4
[M+K]+	110.00028	116.8
[M+H-H2O]+	54.034380	97.8
[M+HCOO]-	116.03532	128.4
[M+CH3COO]-	130.05097	161.1
[M+Na-2H]-	92.011786	115.7
[M]+	71.036571	112.9
[M]-	71.037669	112.9

Literature stripe

literature stripe

Patent stripe

patents stripe