CID 135446921

2-(6-hydroxypurin-9-yl)oxyethoxymethylphosphonic acid

Structural Information

Molecular Formula
C8H11N4O6P
SMILES
C1=NC2=C(C(=O)N1)N=CN2OCCOCP(=O)(O)O
InChI
InChI=1S/C8H11N4O6P/c13-8-6-7(9-3-10-8)12(4-11-6)18-2-1-17-5-19(14,15)16/h3-4H,1-2,5H2,(H,9,10,13)(H2,14,15,16)
InChIKey
CTQDVRLYPQTBKY-UHFFFAOYSA-N
Compound name
2-[(6-oxo-1H-purin-9-yl)oxy]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.04163 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04891 159.8
[M+Na]+ 313.03085 168.7
[M-H]- 289.03435 154.9
[M+NH4]+ 308.07545 170.8
[M+K]+ 329.00479 166.5
[M+H-H2O]+ 273.03889 149.6
[M+HCOO]- 335.03983 181.2
[M+CH3COO]- 349.05548 190.4
[M+Na-2H]- 311.01630 164.5
[M]+ 290.04108 164.3
[M]- 290.04218 164.3
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.