CID 135409438

Pmeg

Structural Information

Molecular Formula
C8H12N5O5P
SMILES
C1=NC2=C(N1CCOCP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C8H12N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
InChIKey
NZVORGQIEFTOQZ-UHFFFAOYSA-N
Compound name
2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

68
References

1220
Patents

289.05762 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06490 160.6
[M+Na]+ 312.04684 168.7
[M+NH4]+ 307.09144 162.5
[M+K]+ 328.02078 169.9
[M-H]- 288.05034 155.8
[M+Na-2H]- 310.03229 161.3
[M]+ 289.05707 159.5
[M]- 289.05817 159.5
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

patents stripe