CID 135435098

2-[(2-amino-6-oxo-1h-purin-9-yl)methoxy]ethoxyphosphinic acid

Structural Information

Molecular Formula
C8H11N5O5P
SMILES
C1=NC2=C(N1COCCO[P+](=O)O)N=C(NC2=O)N
InChI
InChI=1S/C8H10N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-17-1-2-18-19(15)16/h3H,1-2,4H2,(H3-,9,11,12,14,15,16)/p+1
InChIKey
TZOUZUQNSAWXJB-UHFFFAOYSA-O
Compound name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.04977 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05705 155.8
[M+Na]+ 311.03899 164.6
[M-H]- 287.04249 152.5
[M+NH4]+ 306.08359 167.1
[M+K]+ 327.01293 156.8
[M+H-H2O]+ 271.04703 147.7
[M+HCOO]- 333.04797 179.6
[M+CH3COO]- 347.06362 189.2
[M+Na-2H]- 309.02444 161.2
[M]+ 288.04922 158.1
[M]- 288.05032 158.1
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

No patent data available for this compound.