CID 3008896

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

Structural Information

Molecular Formula
C12H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@](O2)(CO)C=C
InChI
InChI=1S/C12H14N2O4/c1-3-12(7-15)5-4-9(18-12)14-6-8(2)10(16)13-11(14)17/h3-6,9,15H,1,7H2,2H3,(H,13,16,17)/t9-,12+/m1/s1
InChIKey
DMMHWMLOGNSFSI-SKDRFNHKSA-N
Compound name
1-[(2R,5S)-5-ethenyl-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

250.09535 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.102626 151.5
[M+Na]+ 273.084568 162.3
[M-H]- 249.088074 154.8
[M+NH4]+ 268.129173 167.6
[M+K]+ 289.058508 158.8
[M+H-H2O]+ 233.092610 145.1
[M+HCOO]- 295.093551 170.7
[M+CH3COO]- 309.109201 187.1
[M+Na-2H]- 271.070016 155.5
[M]+ 250.09480142 152.8
[M]- 250.09589858 152.8
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