CID 16728572

1-[(2r,5s)-5-(hydroxymethyl)-4-vinyl-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H12N2O4
SMILES
C=CC1=C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C11H12N2O4/c1-2-7-5-10(17-8(7)6-14)13-4-3-9(15)12-11(13)16/h2-5,8,10,14H,1,6H2,(H,12,15,16)/t8-,10-/m1/s1
InChIKey
RNWMNWVEWDQMMO-PSASIEDQSA-N
Compound name
1-[(2R,5S)-4-ethenyl-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

236.07971 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.086986 148.9
[M+Na]+ 259.068928 159.1
[M-H]- 235.072434 151.9
[M+NH4]+ 254.113533 163.4
[M+K]+ 275.042868 155.5
[M+H-H2O]+ 219.076970 141.8
[M+HCOO]- 281.077911 168.3
[M+CH3COO]- 295.093561 184.6
[M+Na-2H]- 257.054376 151.9
[M]+ 236.07916142 149.4
[M]- 236.08025858 149.4
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