CID 5743349

7682-58-8

Structural Information

Molecular Formula
C5H9FN2O3
SMILES
C(C(C(=O)N)N)C(C(=O)O)F
InChI
InChI=1S/C5H9FN2O3/c6-2(5(10)11)1-3(7)4(8)9/h2-3H,1,7H2,(H2,8,9)(H,10,11)
InChIKey
VNARKFMVXYXNIO-UHFFFAOYSA-N
Compound name
4,5-diamino-2-fluoro-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05972 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.066996 133.4
[M+Na]+ 187.048938 138.4
[M-H]- 163.052444 130.0
[M+NH4]+ 182.093543 151.5
[M+K]+ 203.022878 138.5
[M+H-H2O]+ 147.056980 127.1
[M+HCOO]- 209.057921 152.7
[M+CH3COO]- 223.073571 180.9
[M+Na-2H]- 185.034386 132.8
[M]+ 164.05917142 127.6
[M]- 164.06026858 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.