CID 101662

5-fluoronorvaline

Structural Information

Molecular Formula

C₅H₁₀FNO₂

SMILES

C(CC(C(=O)O)N)CF

InChI

InChI=1S/C5H10FNO2/c6-3-1-2-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)

InChIKey

LNDUKXGUOHGKNL-UHFFFAOYSA-N

Compound name

2-amino-5-fluoropentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 135.06955 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]+	136.07683	127.3
[M+Na]+	158.05877	133.4
[M-H]-	134.06227	124.4
[M+NH4]+	153.10337	147.6
[M+K]+	174.03271	132.9
[M+H-H2O]+	118.06681	121.7
[M+HCOO]-	180.06775	147.9
[M+CH3COO]-	194.08340	173.1
[M+Na-2H]-	156.04422	130.2
[M]+	135.06900	124.0
[M]-	135.07010	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe