CID 5271677

2-[2-amino-6-(methylamino)purin-9-yl]ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C9H15N6O4P
SMILES
CNC1=C2C(=NC(=N1)N)N(C=N2)CCOCP(=O)(O)O
InChI
InChI=1S/C9H15N6O4P/c1-11-7-6-8(14-9(10)13-7)15(4-12-6)2-3-19-5-20(16,17)18/h4H,2-3,5H2,1H3,(H2,16,17,18)(H3,10,11,13,14)
InChIKey
QTIICEXEWZIAEF-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(methylamino)purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

302.08923 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09651 166.1
[M+Na]+ 325.07845 174.3
[M-H]- 301.08195 162.4
[M+NH4]+ 320.12305 177.0
[M+K]+ 341.05239 171.7
[M+H-H2O]+ 285.08649 155.4
[M+HCOO]- 347.08743 189.7
[M+CH3COO]- 361.10308 203.3
[M+Na-2H]- 323.06390 170.1
[M]+ 302.08868 168.7
[M]- 302.08978 168.7
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.