CID 452407

3'-hydroxymethyl ddu

Structural Information

Molecular Formula
C10H14N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)CO
InChI
InChI=1S/C10H14N2O5/c13-4-6-3-9(17-7(6)5-14)12-2-1-8(15)11-10(12)16/h1-2,6-7,9,13-14H,3-5H2,(H,11,15,16)/t6-,7-,9-/m1/s1
InChIKey
WVMUUUBOMXOTAW-ZXFLCMHBSA-N
Compound name
1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

242.09027 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 150.2
[M+Na]+ 265.07949 158.8
[M-H]- 241.08299 151.6
[M+NH4]+ 260.12409 163.6
[M+K]+ 281.05343 156.1
[M+H-H2O]+ 225.08753 143.2
[M+HCOO]- 287.08847 167.0
[M+CH3COO]- 301.10412 182.8
[M+Na-2H]- 263.06494 152.4
[M]+ 242.08972 149.2
[M]- 242.09082 149.2
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