CID 6478667

Bvisoddu

Structural Information

Molecular Formula
C11H13BrN2O4
SMILES
C1[C@@H](CO[C@@H]1CO)N2C=C(C(=O)NC2=O)/C=C/Br
InChI
InChI=1S/C11H13BrN2O4/c12-2-1-7-4-14(11(17)13-10(7)16)8-3-9(5-15)18-6-8/h1-2,4,8-9,15H,3,5-6H2,(H,13,16,17)/b2-1+/t8-,9-/m0/s1
InChIKey
PUVOYSWPIMMHQU-XOINZRLQSA-N
Compound name
5-[(E)-2-bromoethenyl]-1-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.00586 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.013136 160.3
[M+Na]+ 338.995078 172.1
[M-H]- 314.998584 165.4
[M+NH4]+ 334.039683 175.4
[M+K]+ 354.969018 160.3
[M+H-H2O]+ 299.003120 159.2
[M+HCOO]- 361.004061 176.1
[M+CH3COO]- 375.019711 194.1
[M+Na-2H]- 336.980526 163.4
[M]+ 316.00531142 177.9
[M]- 316.00640858 177.9
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.