CID 572

Fosmidomycin

Structural Information

Molecular Formula
C4H10NO5P
SMILES
C(CN(C=O)O)CP(=O)(O)O
InChI
InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
InChIKey
GJXWDTUCERCKIX-UHFFFAOYSA-N
Compound name
3-[formyl(hydroxy)amino]propylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

345
References

1862
Patents

183.02966 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.03694 137.4
[M+Na]+ 206.01888 143.2
[M+NH4]+ 201.06348 141.5
[M+K]+ 221.99282 142.3
[M-H]- 182.02238 132.7
[M+Na-2H]- 204.00433 137.3
[M]+ 183.02911 136.1
[M]- 183.03021 136.1
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