CID 101543

3'-uridylic acid

Structural Information

Molecular Formula
C9H13N2O9P
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
InChI
InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
FOGRQMPFHUHIGU-XVFCMESISA-N
Compound name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

1496
Patents

324.03586 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04314 165.8
[M+Na]+ 347.02508 172.1
[M+NH4]+ 342.06968 166.3
[M+K]+ 362.99902 176.0
[M-H]- 323.02858 161.8
[M+Na-2H]- 345.01053 164.0
[M]+ 324.03531 164.6
[M]- 324.03641 164.6
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