CID 484361

1-[(2r)-4-(hydroxymethyl)-2,5-dihydrothiophen-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
C1C(=C[C@@H](S1)N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C9H10N2O3S/c12-4-6-3-8(15-5-6)11-2-1-7(13)10-9(11)14/h1-3,8,12H,4-5H2,(H,10,13,14)/t8-/m1/s1
InChIKey
ZDUBGWWTNXSFFU-MRVPVSSYSA-N
Compound name
1-[(2R)-4-(hydroxymethyl)-2,5-dihydrothiophen-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

226.04121 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04849 145.6
[M+Na]+ 249.03043 156.0
[M-H]- 225.03393 148.2
[M+NH4]+ 244.07503 162.5
[M+K]+ 265.00437 151.1
[M+H-H2O]+ 209.03847 139.2
[M+HCOO]- 271.03941 161.4
[M+CH3COO]- 285.05506 179.5
[M+Na-2H]- 247.01588 146.6
[M]+ 226.04066 146.1
[M]- 226.04176 146.1
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

No patent data available for this compound.