CID 11448743

848949-85-9

Structural Information

Molecular Formula

C₈H₁₆FNO₂

SMILES

CCOC(=O)[C@H](CC(C)(C)F)N

InChI

InChI=1S/C8H16FNO2/c1-4-12-7(11)6(10)5-8(2,3)9/h6H,4-5,10H2,1-3H3/t6-/m0/s1

InChIKey

MJEBOMLXSMSDDI-LURJTMIESA-N

Compound name

ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 76
Patents: 177.1165 Da
Monoisotopic Mass: 0.9
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]+	178.12378	140.2
[M+Na]+	200.10572	147.0
[M+NH4]+	195.15032	145.9
[M+K]+	216.07966	144.0
[M-H]-	176.10922	136.9
[M+Na-2H]-	198.09117	141.4
[M]+	177.11595	139.8
[M]-	177.11705	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe