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

6
Annotation Hits: 345
References: 2168
Patents: 183.02966 Da
Monoisotopic Mass: -2.2
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]+	184.03694	137.3
[M+Na]+	206.01888	143.5
[M-H]-	182.02238	133.8
[M+NH4]+	201.06348	155.7
[M+K]+	221.99282	143.7
[M+H-H2O]+	166.02692	130.5
[M+HCOO]-	228.02786	163.7
[M+CH3COO]-	242.04351	177.3
[M+Na-2H]-	204.00433	140.7
[M]+	183.02911	139.3
[M]-	183.03021	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe