CID 115012627

2913241-69-5

Structural Information

Molecular Formula

C₇H₁₂FNO₂

SMILES

CCOC(=O)CC1(CNC1)F

InChI

InChI=1S/C7H12FNO2/c1-2-11-6(10)3-7(8)4-9-5-7/h9H,2-5H2,1H3

InChIKey

CONMAPUSAQSDCM-UHFFFAOYSA-N

Compound name

ethyl 2-(3-fluoroazetidin-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.0852 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]+	162.09248	134.9
[M+Na]+	184.07442	140.5
[M-H]-	160.07792	134.4
[M+NH4]+	179.11902	149.0
[M+K]+	200.04836	142.5
[M+H-H2O]+	144.08246	124.4
[M+HCOO]-	206.08340	152.5
[M+CH3COO]-	220.09905	177.2
[M+Na-2H]-	182.05987	139.7
[M]+	161.08465	141.5
[M]-	161.08575	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.