CID 6918236

Perzinfotel

Structural Information

Molecular Formula

C₉H₁₃N₂O₅P

SMILES

C1CNC2=C(C(=O)C2=O)N(C1)CCP(=O)(O)O

InChI

InChI=1S/C9H13N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h10H,1-5H2,(H2,14,15,16)

InChIKey

BDABGOLMYNHHTR-UHFFFAOYSA-N

Compound name

2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 2206
Patents: 260.0562 Da
Monoisotopic Mass: -1.6
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]+	261.06348	155.4
[M+Na]+	283.04542	158.0
[M+NH4]+	278.09002	154.9
[M+K]+	299.01936	159.1
[M-H]-	259.04892	148.9
[M+Na-2H]-	281.03087	153.2
[M]+	260.05565	152.3
[M]-	260.05675	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe