CID 135480703

1-(r)-hpmpa

Structural Information

Molecular Formula
C9H14N5O5P
SMILES
CC([C@H](N1C=NC(=N)C2=C1N=CN2)O)OCP(=O)(O)O
InChI
InChI=1S/C9H14N5O5P/c1-5(19-4-20(16,17)18)9(15)14-3-13-7(10)6-8(14)12-2-11-6/h2-3,5,9-10,15H,4H2,1H3,(H,11,12)(H2,16,17,18)/t5?,9-/m1/s1
InChIKey
WEUIZALSYTYZLE-OLAZFDQMSA-N
Compound name
[(1R)-1-hydroxy-1-(6-imino-7H-purin-3-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07324 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08052 165.6
[M+Na]+ 326.06246 172.3
[M-H]- 302.06596 159.7
[M+NH4]+ 321.10706 175.0
[M+K]+ 342.03640 169.8
[M+H-H2O]+ 286.07050 155.8
[M+HCOO]- 348.07144 184.2
[M+CH3COO]- 362.08709 196.1
[M+Na-2H]- 324.04791 167.7
[M]+ 303.07269 165.4
[M]- 303.07379 165.4
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.