CID 510143

Schembl10591323

Structural Information

Molecular Formula
C10H9N3O4
SMILES
C1=CN(C(=O)NC1=O)[C@@H]2C=C([C@@H](O2)CO)C#N
InChI
InChI=1S/C10H9N3O4/c11-4-6-3-9(17-7(6)5-14)13-2-1-8(15)12-10(13)16/h1-3,7,9,14H,5H2,(H,12,15,16)/t7-,9-/m0/s1
InChIKey
LTUIPAHPQZQXIO-CBAPKCEASA-N
Compound name
(2R,5S)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.05931 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 147.0
[M+Na]+ 258.04853 158.5
[M-H]- 234.05203 148.6
[M+NH4]+ 253.09313 159.5
[M+K]+ 274.02247 155.0
[M+H-H2O]+ 218.05657 132.7
[M+HCOO]- 280.05751 162.9
[M+CH3COO]- 294.07316 195.6
[M+Na-2H]- 256.03398 150.1
[M]+ 235.05876 142.2
[M]- 235.05986 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.