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

literature stripe

Patent stripe

patents stripe