CID 451477

Pmemap

Structural Information

Molecular Formula
C8H12N5O4P
SMILES
C1=C2C(=NC(=N1)N)N(C=N2)CCOCP(=O)(O)O
InChI
InChI=1S/C8H12N5O4P/c9-8-10-3-6-7(12-8)13(4-11-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,12)(H2,14,15,16)
InChIKey
VFSNCDDPONNCST-UHFFFAOYSA-N
Compound name
2-(2-aminopurin-9-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

73
Patents

273.06268 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06996 158.8
[M+Na]+ 296.05190 167.6
[M-H]- 272.05540 154.9
[M+NH4]+ 291.09650 171.0
[M+K]+ 312.02584 165.1
[M+H-H2O]+ 256.05994 148.4
[M+HCOO]- 318.06088 181.8
[M+CH3COO]- 332.07653 193.6
[M+Na-2H]- 294.03735 163.2
[M]+ 273.06213 161.5
[M]- 273.06323 161.5
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