CID 472187

Chembl293424

Structural Information

Molecular Formula
C7H12N3O5P
SMILES
C1=CN=C(N=C1OCCOCP(=O)(O)O)N
InChI
InChI=1S/C7H12N3O5P/c8-7-9-2-1-6(10-7)15-4-3-14-5-16(11,12)13/h1-2H,3-5H2,(H2,8,9,10)(H2,11,12,13)
InChIKey
YJTOCJYVMYCJRK-UHFFFAOYSA-N
Compound name
2-(2-aminopyrimidin-4-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.05145 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05873 152.8
[M+Na]+ 272.04067 159.4
[M-H]- 248.04417 149.5
[M+NH4]+ 267.08527 165.6
[M+K]+ 288.01461 158.2
[M+H-H2O]+ 232.04871 143.0
[M+HCOO]- 294.04965 177.3
[M+CH3COO]- 308.06530 188.4
[M+Na-2H]- 270.02612 156.9
[M]+ 249.05090 154.7
[M]- 249.05200 154.7
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.