CID 135508798

(s)-2'-vinyl-pmeg

Structural Information

Molecular Formula
C10H14N5O5P
SMILES
C=C[C@@H](CN1C=NC2=C1N=C(NC2=O)N)OCP(=O)(O)O
InChI
InChI=1S/C10H14N5O5P/c1-2-6(20-5-21(17,18)19)3-15-4-12-7-8(15)13-10(11)14-9(7)16/h2,4,6H,1,3,5H2,(H2,17,18,19)(H3,11,13,14,16)/t6-/m0/s1
InChIKey
ROSOTDMRFMYKGI-LURJTMIESA-N
Compound name
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)but-3-en-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

315.07324 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08052 169.7
[M+Na]+ 338.06246 178.0
[M-H]- 314.06596 164.7
[M+NH4]+ 333.10706 179.4
[M+K]+ 354.03640 174.4
[M+H-H2O]+ 298.07050 159.7
[M+HCOO]- 360.07144 190.0
[M+CH3COO]- 374.08709 200.3
[M+Na-2H]- 336.04791 171.1
[M]+ 315.07269 171.0
[M]- 315.07379 171.0
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