CID 13712

2'-deoxyuridine

Structural Information

Molecular Formula
C9H12N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
InChI
InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
InChIKey
MXHRCPNRJAMMIM-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2553
References

28402
Patents

228.07462 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 145.7
[M+Na]+ 251.06384 154.8
[M-H]- 227.06734 147.3
[M+NH4]+ 246.10844 159.7
[M+K]+ 267.03778 152.2
[M+H-H2O]+ 211.07188 138.9
[M+HCOO]- 273.07282 162.8
[M+CH3COO]- 287.08847 179.8
[M+Na-2H]- 249.04929 148.4
[M]+ 228.07407 144.4
[M]- 228.07517 144.4
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