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

literature stripe

Patent stripe

patents stripe