CID 122197530

Pd051258

Structural Information

Molecular Formula

C₆H₁₀FNO₂

SMILES

CC1(CC(C1)(C(=O)O)N)[18F]

InChI

InChI=1S/C6H10FNO2/c1-5(7)2-6(8,3-5)4(9)10/h2-3,8H2,1H3,(H,9,10)/i7-1

InChIKey

ILMJJAKSEOUEPX-JZRMKITLSA-N

Compound name

1-amino-3-(18F)fluoranyl-3-methylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 146.0721 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]+	147.07938	132.2
[M+Na]+	169.06132	138.9
[M-H]-	145.06482	133.5
[M+NH4]+	164.10592	149.6
[M+K]+	185.03526	140.8
[M+H-H2O]+	129.06936	124.0
[M+HCOO]-	191.07030	151.5
[M+CH3COO]-	205.08595	177.3
[M+Na-2H]-	167.04677	137.0
[M]+	146.07155	136.9
[M]-	146.07265	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe