CID 490424

Schembl10662409

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1[C@@H](C[C@H]([C@@H]1CO)O)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H14N2O4/c13-5-6-3-7(4-8(6)14)12-2-1-9(15)11-10(12)16/h1-2,6-8,13-14H,3-5H2,(H,11,15,16)/t6-,7-,8+/m0/s1
InChIKey
JIFXFEDXEKJYAE-BIIVOSGPSA-N
Compound name
1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

226.09535 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 147.3
[M+Na]+ 249.08457 156.1
[M-H]- 225.08807 148.1
[M+NH4]+ 244.12917 162.8
[M+K]+ 265.05851 151.8
[M+H-H2O]+ 209.09261 140.5
[M+HCOO]- 271.09355 164.9
[M+CH3COO]- 285.10920 180.3
[M+Na-2H]- 247.07002 148.7
[M]+ 226.09480 144.3
[M]- 226.09590 144.3
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

patents stripe