CID 500131

Nsc653489

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1[C@H](O[C@H](O1)CN2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(14)11-7)3-8-15-5-6(4-13)16-8/h1-2,6,8,13H,3-5H2,(H2,10,11,14)/t6-,8+/m1/s1
InChIKey
XVFDHRXYFGNGHN-SVRRBLITSA-N
Compound name
4-amino-1-[[(2S,4R)-4-(hydroxymethyl)-1,3-dioxolan-2-yl]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0906 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 148.2
[M+Na]+ 250.07982 156.4
[M-H]- 226.08332 152.2
[M+NH4]+ 245.12442 161.6
[M+K]+ 266.05376 155.9
[M+H-H2O]+ 210.08786 140.4
[M+HCOO]- 272.08880 167.5
[M+CH3COO]- 286.10445 186.4
[M+Na-2H]- 248.06527 152.5
[M]+ 227.09005 148.4
[M]- 227.09115 148.4
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.