CID 6320691

[2-(2-hydroxy-4-pyridyl)-1-phosphono-ethyl]phosphonic acid

Structural Information

Molecular Formula
C7H11NO7P2
SMILES
C1=CNC(=O)C=C1CC(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C7H11NO7P2/c9-6-3-5(1-2-8-6)4-7(16(10,11)12)17(13,14)15/h1-3,7H,4H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)
InChIKey
XJYTXIKVJPNMKQ-UHFFFAOYSA-N
Compound name
[2-(2-oxo-1H-pyridin-4-yl)-1-phosphonoethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.00107 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.00835 161.7
[M+Na]+ 305.99029 167.2
[M-H]- 281.99379 155.2
[M+NH4]+ 301.03489 173.0
[M+K]+ 321.96423 165.3
[M+H-H2O]+ 265.99833 151.7
[M+HCOO]- 327.99927 185.4
[M+CH3COO]- 342.01492 185.6
[M+Na-2H]- 303.97574 162.5
[M]+ 283.00052 160.4
[M]- 283.00162 160.4
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.