CID 455209

(-).b.-dioxolan-5cl-c

Structural Information

Molecular Formula
C8H10ClN3O4
SMILES
C1[C@H](O[C@H](O1)CO)N2C=C(C(=NC2=O)N)Cl
InChI
InChI=1S/C8H10ClN3O4/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m0/s1
InChIKey
FHQBEXAIBWHLBV-WDSKDSINSA-N
Compound name
4-amino-5-chloro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.03598 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04326 151.3
[M+Na]+ 270.02520 161.4
[M-H]- 246.02870 155.6
[M+NH4]+ 265.06980 164.9
[M+K]+ 285.99914 159.4
[M+H-H2O]+ 230.03324 144.4
[M+HCOO]- 292.03418 166.0
[M+CH3COO]- 306.04983 188.5
[M+Na-2H]- 268.01065 154.7
[M]+ 247.03543 153.3
[M]- 247.03653 153.3
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

No patent data available for this compound.