CID 80695260

2226305-37-7

Structural Information

Molecular Formula

C₆H₁₀FNO₂

SMILES

C1C(CN1CCF)C(=O)O

InChI

InChI=1S/C6H10FNO2/c7-1-2-8-3-5(4-8)6(9)10/h5H,1-4H2,(H,9,10)

InChIKey

SMJMJAKGWWQICV-UHFFFAOYSA-N

Compound name

1-(2-fluoroethyl)azetidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 147.06955 Da
Monoisotopic Mass: -2.4
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]+	148.076826	128.7
[M+Na]+	170.058768	134.6
[M-H]-	146.062274	128.2
[M+NH4]+	165.103373	141.5
[M+K]+	186.032708	136.7
[M+H-H2O]+	130.066810	117.2
[M+HCOO]-	192.067751	146.6
[M+CH3COO]-	206.083401	176.4
[M+Na-2H]-	168.044216	132.3
[M]+	147.06900142	135.0
[M]-	147.07009858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe