CID 251717

9000-86-6

Structural Information

Molecular Formula
C11H16N2O6
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(C(O2)CO)O)O
InChI
InChI=1S/C11H16N2O6/c1-5-3-13(11(18)12-10(5)17)8-2-6(15)9(16)7(4-14)19-8/h3,6-9,14-16H,2,4H2,1H3,(H,12,17,18)
InChIKey
VVJYUAYZJAKGRQ-UHFFFAOYSA-N
Compound name
1-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34360
References

1922
Patents

272.10083 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 160.0
[M+Na]+ 295.09005 168.6
[M-H]- 271.09355 160.3
[M+NH4]+ 290.13465 170.0
[M+K]+ 311.06399 165.6
[M+H-H2O]+ 255.09809 152.5
[M+HCOO]- 317.09903 172.8
[M+CH3COO]- 331.11468 189.6
[M+Na-2H]- 293.07550 161.2
[M]+ 272.10028 157.8
[M]- 272.10138 157.8
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