CID 477300

(s)-2'-vinyl-pmec

Structural Information

Molecular Formula
C9H14N3O5P
SMILES
C=C[C@@H](CN1C=CC(=NC1=O)N)OCP(=O)(O)O
InChI
InChI=1S/C9H14N3O5P/c1-2-7(17-6-18(14,15)16)5-12-4-3-8(10)11-9(12)13/h2-4,7H,1,5-6H2,(H2,10,11,13)(H2,14,15,16)/t7-/m0/s1
InChIKey
WPQRNUFAVXUZEA-ZETCQYMHSA-N
Compound name
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)but-3-en-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0671 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07438 160.1
[M+Na]+ 298.05632 167.0
[M-H]- 274.05982 157.0
[M+NH4]+ 293.10092 171.9
[M+K]+ 314.03026 164.8
[M+H-H2O]+ 258.06436 150.5
[M+HCOO]- 320.06530 183.3
[M+CH3COO]- 334.08095 194.9
[M+Na-2H]- 296.04177 161.3
[M]+ 275.06655 161.0
[M]- 275.06765 161.0
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.