CID 65119

3416-05-5

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
InChIKey
XKKCQTLDIPIRQD-JGVFFNPUSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

90
References

31324
Patents

226.09535 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 147.0
[M+Na]+ 249.08457 156.3
[M-H]- 225.08807 149.8
[M+NH4]+ 244.12917 161.9
[M+K]+ 265.05851 153.8
[M+H-H2O]+ 209.09261 140.0
[M+HCOO]- 271.09355 165.1
[M+CH3COO]- 285.10920 182.7
[M+Na-2H]- 247.07002 149.5
[M]+ 226.09480 146.4
[M]- 226.09590 146.4
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