CID 489493

2(1h)-pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]-

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C[C@@]1(OC[C@@H](O1)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C9H13N3O4/c1-9(5-13)15-4-7(16-9)12-3-2-6(10)11-8(12)14/h2-3,7,13H,4-5H2,1H3,(H2,10,11,14)/t7-,9+/m1/s1
InChIKey
GNWOMQNBBAUDDG-APPZFPTMSA-N
Compound name
4-amino-1-[(2S,4R)-2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.0906 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 146.5
[M+Na]+ 250.07982 155.7
[M-H]- 226.08332 150.9
[M+NH4]+ 245.12442 162.0
[M+K]+ 266.05376 155.6
[M+H-H2O]+ 210.08786 139.6
[M+HCOO]- 272.08880 165.8
[M+CH3COO]- 286.10445 186.0
[M+Na-2H]- 248.06527 152.2
[M]+ 227.09005 147.1
[M]- 227.09115 147.1
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.