CID 98561

5-formyl-2'-deoxyuridine

Structural Information

Molecular Formula
C10H12N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)CO)O
InChI
InChI=1S/C10H12N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/h2-3,6-8,14-15H,1,4H2,(H,11,16,17)/t6-,7+,8+/m0/s1
InChIKey
MVORBLZUGBSUNB-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

49
References

112
Patents

256.06955 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07683 151.5
[M+Na]+ 279.05877 161.0
[M-H]- 255.06227 153.3
[M+NH4]+ 274.10337 164.4
[M+K]+ 295.03271 158.3
[M+H-H2O]+ 239.06681 144.7
[M+HCOO]- 301.06775 168.6
[M+CH3COO]- 315.08340 185.8
[M+Na-2H]- 277.04422 153.1
[M]+ 256.06900 151.7
[M]- 256.07010 151.7
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.