CID 72253

Hpmpa

Structural Information

Molecular Formula
C9H14N5O5P
SMILES
C1=NC(=C2C(=N1)N(C=N2)C[C@@H](CO)OCP(=O)(O)O)N
InChI
InChI=1S/C9H14N5O5P/c10-8-7-9(12-3-11-8)14(4-13-7)1-6(2-15)19-5-20(16,17)18/h3-4,6,15H,1-2,5H2,(H2,10,11,12)(H2,16,17,18)/t6-/m0/s1
InChIKey
FRPXSOOHWNMLPH-LURJTMIESA-N
Compound name
[(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

137
References

1429
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 165.6
[M+Na]+ 326.06246 172.9
[M-H]- 302.06596 160.4
[M+NH4]+ 321.10706 175.7
[M+K]+ 342.03640 170.8
[M+H-H2O]+ 286.07050 155.3
[M+HCOO]- 348.07144 186.0
[M+CH3COO]- 362.08709 197.6
[M+Na-2H]- 324.04791 168.4
[M]+ 303.07269 167.6
[M]- 303.07379 167.6
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