CID 5271676

2-(2,4-diamino-2h-pyrimidin-1-yl)ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C7H15N4O4P
SMILES
C1=CN(C(N=C1N)N)CCOCP(=O)(O)O
InChI
InChI=1S/C7H15N4O4P/c8-6-1-2-11(7(9)10-6)3-4-15-5-16(12,13)14/h1-2,7H,3-5,9H2,(H2,8,10)(H2,12,13,14)
InChIKey
KFKGNZMZIDWQLN-UHFFFAOYSA-N
Compound name
2-(2,4-diamino-2H-pyrimidin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

250.0831 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09038 155.4
[M+Na]+ 273.07232 161.2
[M-H]- 249.07582 151.6
[M+NH4]+ 268.11692 167.9
[M+K]+ 289.04626 159.4
[M+H-H2O]+ 233.08036 145.8
[M+HCOO]- 295.08130 178.6
[M+CH3COO]- 309.09695 192.7
[M+Na-2H]- 271.05777 157.1
[M]+ 250.08255 153.1
[M]- 250.08365 153.1
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.