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

1
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

literature stripe

Patent stripe

patents stripe