CID 454152

Iso-ddt

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](OC2)CO
InChI
InChI=1S/C10H14N2O4/c1-6-3-12(10(15)11-9(6)14)7-2-8(4-13)16-5-7/h3,7-8,13H,2,4-5H2,1H3,(H,11,14,15)/t7-,8-/m1/s1
InChIKey
HOKZCKKHTJPEMZ-HTQZYQBOSA-N
Compound name
1-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

226.09535 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 147.0
[M+Na]+ 249.08457 156.3
[M-H]- 225.08807 149.8
[M+NH4]+ 244.12917 161.9
[M+K]+ 265.05851 153.8
[M+H-H2O]+ 209.09261 140.0
[M+HCOO]- 271.09355 165.1
[M+CH3COO]- 285.10920 182.7
[M+Na-2H]- 247.07002 149.5
[M]+ 226.09480 146.4
[M]- 226.09590 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.