CID 515082

100683-67-8

Structural Information

Molecular Formula
C9H13N6O5P
SMILES
C1C(COP(=O)(O1)O)OCN2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C9H13N6O5P/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-18-5-1-19-21(16,17)20-2-5/h3,5H,1-2,4H2,(H,16,17)(H4,10,11,13,14)
InChIKey
FNNHUHDNNHOXQE-UHFFFAOYSA-N
Compound name
9-[(2-hydroxy-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)oxymethyl]purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.0685 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07578 167.1
[M+Na]+ 339.05772 175.9
[M-H]- 315.06122 168.4
[M+NH4]+ 334.10232 176.7
[M+K]+ 355.03166 175.6
[M+H-H2O]+ 299.06576 155.4
[M+HCOO]- 361.06670 188.5
[M+CH3COO]- 375.08235 205.7
[M+Na-2H]- 337.04317 169.9
[M]+ 316.06795 167.9
[M]- 316.06905 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.