CID 451827

35959-38-7

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CN)O
InChI
InChI=1S/C9H13N3O4/c10-4-6-5(13)3-8(16-6)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4,10H2,(H,11,14,15)/t5-,6+,8+/m0/s1
InChIKey
ABYZQSMQSHNEMQ-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

86
Patents

227.0906 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 147.3
[M+Na]+ 250.07982 156.1
[M-H]- 226.08332 149.8
[M+NH4]+ 245.12442 161.5
[M+K]+ 266.05376 153.4
[M+H-H2O]+ 210.08786 140.0
[M+HCOO]- 272.08880 166.1
[M+CH3COO]- 286.10445 184.5
[M+Na-2H]- 248.06527 149.8
[M]+ 227.09005 144.7
[M]- 227.09115 144.7
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.