CID 84716347

2757999-72-5

Structural Information

Molecular Formula

C₆H₁₀FNO₂

SMILES

COC(=O)C1(CC(C1)F)N

InChI

InChI=1S/C6H10FNO2/c1-10-5(9)6(8)2-4(7)3-6/h4H,2-3,8H2,1H3

InChIKey

RXDZDBXLEJGLIC-UHFFFAOYSA-N

Compound name

methyl 1-amino-3-fluorocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.06955 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]+	148.076826	130.2
[M+Na]+	170.058768	136.4
[M-H]-	146.062274	132.4
[M+NH4]+	165.103373	146.4
[M+K]+	186.032708	139.2
[M+H-H2O]+	130.066810	120.3
[M+HCOO]-	192.067751	151.1
[M+CH3COO]-	206.083401	179.4
[M+Na-2H]-	168.044216	134.4
[M]+	147.06900142	136.3
[M]-	147.07009858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe