CID 316991

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14N2O6
SMILES
CN1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O
InChI
InChI=1S/C10H14N2O6/c1-11-6(14)2-3-12(10(11)17)9-8(16)7(15)5(4-13)18-9/h2-3,5,7-9,13,15-16H,4H2,1H3
InChIKey
UTQUILVPBZEHTK-UHFFFAOYSA-N
Compound name
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

8264
Patents

258.08517 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09245 152.6
[M+Na]+ 281.07439 162.8
[M-H]- 257.07789 154.9
[M+NH4]+ 276.11899 165.9
[M+K]+ 297.04833 160.8
[M+H-H2O]+ 241.08243 146.1
[M+HCOO]- 303.08337 169.5
[M+CH3COO]- 317.09902 188.0
[M+Na-2H]- 279.05984 153.6
[M]+ 258.08462 154.0
[M]- 258.08572 154.0
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