CID 53792010

Uridine-5'-aldehyde

Structural Information

Molecular Formula
C9H10N2O6
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C=O)O)O
InChI
InChI=1S/C9H10N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-4,6-8,14-15H,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKey
FCMSQGXJQIDTCO-XVFCMESISA-N
Compound name
(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

242.05388 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06116 147.0
[M+Na]+ 265.04310 157.0
[M-H]- 241.04660 149.0
[M+NH4]+ 260.08770 160.5
[M+K]+ 281.01704 154.5
[M+H-H2O]+ 225.05114 140.4
[M+HCOO]- 287.05208 164.4
[M+CH3COO]- 301.06773 182.8
[M+Na-2H]- 263.02855 149.1
[M]+ 242.05333 146.8
[M]- 242.05443 146.8
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