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
4
Annotation Hits

14
References

2209
Patents

260.0562 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06348 156.5
[M+Na]+ 283.04542 161.4
[M-H]- 259.04892 154.9
[M+NH4]+ 278.09002 163.2
[M+K]+ 299.01936 165.6
[M+H-H2O]+ 243.05346 143.9
[M+HCOO]- 305.05440 174.3
[M+CH3COO]- 319.07005 192.7
[M+Na-2H]- 281.03087 158.0
[M]+ 260.05565 161.8
[M]- 260.05675 161.8
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