CID 107653

70050-43-0

Structural Information

Molecular Formula

C₇H₁₀FN₃O₂

SMILES

C1=C(NC=N1)CC(CF)(C(=O)O)N

InChI

InChI=1S/C7H10FN3O2/c8-3-7(9,6(12)13)1-5-2-10-4-11-5/h2,4H,1,3,9H2,(H,10,11)(H,12,13)

InChIKey

AJFGLTPLWPTALJ-UHFFFAOYSA-N

Compound name

2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 284
References: 2202
Patents: 187.0757 Da
Monoisotopic Mass: -3.1
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]+	188.08298	138.4
[M+Na]+	210.06492	145.1
[M-H]-	186.06842	134.9
[M+NH4]+	205.10952	154.9
[M+K]+	226.03886	142.5
[M+H-H2O]+	170.07296	130.9
[M+HCOO]-	232.07390	156.1
[M+CH3COO]-	246.08955	176.9
[M+Na-2H]-	208.05037	142.7
[M]+	187.07515	133.5
[M]-	187.07625	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe