CID 132364899

2155855-29-9

Structural Information

Molecular Formula

C₆H₉F₂NO₂

SMILES

C1C(CC1(F)F)(CN)C(=O)O

InChI

InChI=1S/C6H9F2NO2/c7-6(8)1-5(2-6,3-9)4(10)11/h1-3,9H2,(H,10,11)

InChIKey

MPIFRGGHGNHZPR-UHFFFAOYSA-N

Compound name

1-(aminomethyl)-3,3-difluorocyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.06013 Da
Monoisotopic Mass: -2.5
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]+	166.067406	135.3
[M+Na]+	188.049348	142.0
[M-H]-	164.052854	135.2
[M+NH4]+	183.093953	151.9
[M+K]+	204.023288	143.5
[M+H-H2O]+	148.057390	126.1
[M+HCOO]-	210.058331	153.6
[M+CH3COO]-	224.073981	180.0
[M+Na-2H]-	186.034796	139.5
[M]+	165.05958142	138.8
[M]-	165.06067858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.