CID 91541

5-hydroxymethyl-2'-deoxyuridine

Structural Information

Molecular Formula
C10H14N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)CO)O
InChI
InChI=1S/C10H14N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/h2,6-8,13-15H,1,3-4H2,(H,11,16,17)/t6-,7+,8+/m0/s1
InChIKey
IPAVKOYJGUMINP-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

100
References

282
Patents

258.08517 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09245 153.5
[M+Na]+ 281.07439 162.3
[M-H]- 257.07789 153.9
[M+NH4]+ 276.11899 165.7
[M+K]+ 297.04833 159.3
[M+H-H2O]+ 241.08243 146.7
[M+HCOO]- 303.08337 168.8
[M+CH3COO]- 317.09902 184.4
[M+Na-2H]- 279.05984 154.6
[M]+ 258.08462 152.5
[M]- 258.08572 152.5
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