CID 484362

1-(4-hydroxymethyl-2,5-dihydro-thiophen-2-yl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H12N2O3S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C(CS2)CO
InChI
InChI=1S/C10H12N2O3S/c1-6-3-12(10(15)11-9(6)14)8-2-7(4-13)5-16-8/h2-3,8,13H,4-5H2,1H3,(H,11,14,15)/t8-/m1/s1
InChIKey
HBMCKEAJMLDEKW-MRVPVSSYSA-N
Compound name
1-[(2R)-4-(hydroxymethyl)-2,5-dihydrothiophen-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.05687 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.064146 149.9
[M+Na]+ 263.046088 160.7
[M-H]- 239.049594 152.7
[M+NH4]+ 258.090693 166.5
[M+K]+ 279.020028 155.6
[M+H-H2O]+ 223.054130 143.6
[M+HCOO]- 285.055071 165.3
[M+CH3COO]- 299.070721 183.8
[M+Na-2H]- 261.031536 149.7
[M]+ 240.05632142 151.2
[M]- 240.05741858 151.2
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.