CID 454151

Iso-ddc

Structural Information

Molecular Formula
C9H13N3O3
SMILES
C1[C@H](CO[C@H]1CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H13N3O3/c10-8-1-2-12(9(14)11-8)6-3-7(4-13)15-5-6/h1-2,6-7,13H,3-5H2,(H2,10,11,14)/t6-,7-/m1/s1
InChIKey
UYIRSIYINFATBZ-RNFRBKRXSA-N
Compound name
4-amino-1-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

211.09569 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10297 144.2
[M+Na]+ 234.08491 152.5
[M-H]- 210.08841 147.6
[M+NH4]+ 229.12951 159.7
[M+K]+ 250.05885 150.6
[M+H-H2O]+ 194.09295 136.5
[M+HCOO]- 256.09389 164.3
[M+CH3COO]- 270.10954 183.8
[M+Na-2H]- 232.07036 147.9
[M]+ 211.09514 142.3
[M]- 211.09624 142.3
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.