CID 84049920

2243521-68-6

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

COC(=O)COC1CNC1

InChI

InChI=1S/C6H11NO3/c1-9-6(8)4-10-5-2-7-3-5/h5,7H,2-4H2,1H3

InChIKey

FXTJNVFFCMPTFQ-UHFFFAOYSA-N

Compound name

methyl 2-(azetidin-3-yloxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.0739 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]+	146.081176	128.2
[M+Na]+	168.063118	133.1
[M-H]-	144.066624	128.7
[M+NH4]+	163.107723	140.9
[M+K]+	184.037058	136.2
[M+H-H2O]+	128.071160	117.2
[M+HCOO]-	190.072101	147.4
[M+CH3COO]-	204.087751	174.1
[M+Na-2H]-	166.048566	133.2
[M]+	145.07335142	136.6
[M]-	145.07444858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.