CID 452050

121123-89-5

Structural Information

Molecular Formula
C10H11N3O5
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)CO)C#N)O
InChI
InChI=1S/C10H11N3O5/c11-3-5-6(4-14)18-9(8(5)16)13-2-1-7(15)12-10(13)17/h1-2,5-6,8-9,14,16H,4H2,(H,12,15,17)/t5-,6+,8+,9+/m0/s1
InChIKey
LQCFXQFCWDHFAZ-HIORRCEOSA-N
Compound name
(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

253.06987 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07715 150.8
[M+Na]+ 276.05909 161.5
[M-H]- 252.06259 151.2
[M+NH4]+ 271.10369 162.1
[M+K]+ 292.03303 158.2
[M+H-H2O]+ 236.06713 136.9
[M+HCOO]- 298.06807 164.2
[M+CH3COO]- 312.08372 197.3
[M+Na-2H]- 274.04454 152.1
[M]+ 253.06932 144.8
[M]- 253.07042 144.8
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

No patent data available for this compound.