CID 119351

2,5-diamino-6-fluorohexanoic acid dihydrochloride

Structural Information

Molecular Formula
C6H13FN2O2
SMILES
C(CC(C(=O)O)N)C(CF)N
InChI
InChI=1S/C6H13FN2O2/c7-3-4(8)1-2-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)
InChIKey
PRNUWRQQLDXHRZ-UHFFFAOYSA-N
Compound name
2,5-diamino-6-fluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

102
Patents

164.0961 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe