CID 96622

5-hydroxy-2'-deoxyuridine

Structural Information

Molecular Formula
C9H12N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)O)CO)O
InChI
InChI=1S/C9H12N2O6/c12-3-6-4(13)1-7(17-6)11-2-5(14)8(15)10-9(11)16/h2,4,6-7,12-14H,1,3H2,(H,10,15,16)/t4-,6+,7+/m0/s1
InChIKey
UIJSURSVLVISBO-UBKIQSJTSA-N
Compound name
5-hydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

164
Patents

244.06953 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07681 149.0
[M+Na]+ 267.05875 158.3
[M-H]- 243.06225 149.6
[M+NH4]+ 262.10335 161.8
[M+K]+ 283.03269 155.6
[M+H-H2O]+ 227.06679 142.5
[M+HCOO]- 289.06773 164.7
[M+CH3COO]- 303.08338 181.4
[M+Na-2H]- 265.04420 150.6
[M]+ 244.06898 147.8
[M]- 244.07008 147.8
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.