CID 338887

3-fluoro-dl-valine

Structural Information

Molecular Formula

C₅H₁₀FNO₂

SMILES

CC(C)(C(C(=O)O)N)F

InChI

InChI=1S/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)

InChIKey

ZFUKCHCGMBNYHH-UHFFFAOYSA-N

Compound name

2-amino-3-fluoro-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 957
Patents: 135.06955 Da
Monoisotopic Mass: -1.7
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]+	136.07683	126.4
[M+Na]+	158.05877	133.0
[M-H]-	134.06227	123.9
[M+NH4]+	153.10337	146.9
[M+K]+	174.03271	132.9
[M+H-H2O]+	118.06681	121.6
[M+HCOO]-	180.06775	145.5
[M+CH3COO]-	194.08340	173.4
[M+Na-2H]-	156.04422	130.2
[M]+	135.06900	122.6
[M]-	135.07010	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe