CID 2737351

118101-18-1

Structural Information

Molecular Formula

C₆H₁₃FN₂O₂

SMILES

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

InChI

InChI=1S/C6H13FN2O2/c7-4(3-8)1-2-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)

InChIKey

HILHCIBEZCWKBD-UHFFFAOYSA-N

Compound name

2,6-diamino-5-fluorohexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 164.0961 Da
Monoisotopic Mass: -3.2
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]+	165.10338	136.4
[M+Na]+	187.08532	141.0
[M-H]-	163.08882	132.8
[M+NH4]+	182.12992	154.8
[M+K]+	203.05926	140.4
[M+H-H2O]+	147.09336	130.0
[M+HCOO]-	209.09430	156.0
[M+CH3COO]-	223.10995	181.6
[M+Na-2H]-	185.07077	136.6
[M]+	164.09555	131.0
[M]-	164.09665	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe