CID 135443741

(s)-pmpg

Structural Information

Molecular Formula
C9H14N5O5P
SMILES
C[C@@H](CN1C=NC2=C1N=C(NC2=O)N)OCP(=O)(O)O
InChI
InChI=1S/C9H14N5O5P/c1-5(19-4-20(16,17)18)2-14-3-11-6-7(14)12-9(10)13-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H3,10,12,13,15)/t5-/m0/s1
InChIKey
LDQMGQXMJIFSNJ-YFKPBYRVSA-N
Compound name
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

50
Patents

303.07324 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08052 166.2
[M+Na]+ 326.06246 174.7
[M-H]- 302.06596 161.4
[M+NH4]+ 321.10706 176.5
[M+K]+ 342.03640 171.9
[M+H-H2O]+ 286.07050 156.3
[M+HCOO]- 348.07144 186.7
[M+CH3COO]- 362.08709 198.2
[M+Na-2H]- 324.04791 168.1
[M]+ 303.07269 167.9
[M]- 303.07379 167.9
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

patents stripe