CID 15959379

Ppm-dap

Structural Information

Molecular Formula
C9H15N6O4P
SMILES
C1=NC2=C(N=C(N=C2N1COCCCP(=O)(O)O)N)N
InChI
InChI=1S/C9H15N6O4P/c10-7-6-8(14-9(11)13-7)15(4-12-6)5-19-2-1-3-20(16,17)18/h4H,1-3,5H2,(H2,16,17,18)(H4,10,11,13,14)
InChIKey
ZIQBUFTXUWDBIY-UHFFFAOYSA-N
Compound name
3-[(2,6-diaminopurin-9-yl)methoxy]propylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.08923 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09651 166.2
[M+Na]+ 325.07845 174.5
[M-H]- 301.08195 162.2
[M+NH4]+ 320.12305 176.9
[M+K]+ 341.05239 171.6
[M+H-H2O]+ 285.08649 155.7
[M+HCOO]- 347.08743 189.3
[M+CH3COO]- 361.10308 202.8
[M+Na-2H]- 323.06390 169.3
[M]+ 302.08868 167.9
[M]- 302.08978 167.9
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.