CID 445537

65358-15-8

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey
AMDJRICBYOAHBZ-XLPZGREQSA-N
Compound name
5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

242.09027 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 150.4
[M+Na]+ 265.07949 160.0
[M-H]- 241.08299 152.2
[M+NH4]+ 260.12409 164.1
[M+K]+ 281.05343 157.2
[M+H-H2O]+ 225.08753 143.8
[M+HCOO]- 287.08847 167.2
[M+CH3COO]- 301.10412 184.1
[M+Na-2H]- 263.06494 151.9
[M]+ 242.08972 149.9
[M]- 242.09082 149.9
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