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

literature stripe

Patent stripe

patents stripe