CID 3011006

Schembl9417176

Structural Information

Molecular Formula
C8H13N6O5P
SMILES
C1=NC2=C(N=C(N=C2N1OCCOCP(=O)(O)O)N)N
InChI
InChI=1S/C8H13N6O5P/c9-6-5-7(13-8(10)12-6)14(3-11-5)19-2-1-18-4-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H4,9,10,12,13)
InChIKey
LQVCOYFPVXXECM-UHFFFAOYSA-N
Compound name
2-(2,6-diaminopurin-9-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.0685 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07578 163.0
[M+Na]+ 327.05772 171.4
[M-H]- 303.06122 159.1
[M+NH4]+ 322.10232 173.5
[M+K]+ 343.03166 169.5
[M+H-H2O]+ 287.06576 152.5
[M+HCOO]- 349.06670 186.6
[M+CH3COO]- 363.08235 202.2
[M+Na-2H]- 325.04317 167.0
[M]+ 304.06795 165.7
[M]- 304.06905 165.7
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

patents stripe