CID 135482319

159430-16-7

Structural Information

Molecular Formula
C9H14N5O6P
SMILES
CCOP(=O)(COCON1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C9H14N5O6P/c1-2-20-21(16,17)5-18-4-19-14-3-11-6-7(14)12-9(10)13-8(6)15/h3H,2,4-5H2,1H3,(H,16,17)(H3,10,12,13,15)
InChIKey
VUOGUXKBFXKTQD-UHFFFAOYSA-N
Compound name
(2-amino-6-oxo-1H-purin-9-yl)oxymethoxymethyl-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

319.06818 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07546 166.5
[M+Na]+ 342.05740 175.3
[M-H]- 318.06090 162.8
[M+NH4]+ 337.10200 176.8
[M+K]+ 358.03134 173.5
[M+H-H2O]+ 302.06544 156.0
[M+HCOO]- 364.06638 189.6
[M+CH3COO]- 378.08203 201.8
[M+Na-2H]- 340.04285 170.4
[M]+ 319.06763 171.9
[M]- 319.06873 171.9
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.