CID 64683

7481-88-1

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H11N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h1-4,6,8,13H,5H2,(H2,10,11,14)/t6-,8+/m0/s1
InChIKey
OOBICGOWICFMIX-POYBYMJQSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

52
References

898
Patents

209.08005 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 142.6
[M+Na]+ 232.06927 152.0
[M-H]- 208.07277 146.5
[M+NH4]+ 227.11387 158.3
[M+K]+ 248.04321 149.9
[M+H-H2O]+ 192.07731 135.0
[M+HCOO]- 254.07825 164.2
[M+CH3COO]- 268.09390 183.5
[M+Na-2H]- 230.05472 147.3
[M]+ 209.07950 142.2
[M]- 209.08060 142.2
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