CID 385296

Nsc676408

Structural Information

Molecular Formula
C10H14N2O3
SMILES
C1CC(C1)(CN2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C10H14N2O3/c13-7-10(3-1-4-10)6-12-5-2-8(14)11-9(12)15/h2,5,13H,1,3-4,6-7H2,(H,11,14,15)
InChIKey
JCDAPZYSDFNFHT-UHFFFAOYSA-N
Compound name
1-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 144.5
[M+Na]+ 233.08967 152.0
[M-H]- 209.09317 146.1
[M+NH4]+ 228.13427 154.9
[M+K]+ 249.06361 151.5
[M+H-H2O]+ 193.09771 132.8
[M+HCOO]- 255.09865 162.3
[M+CH3COO]- 269.11430 182.7
[M+Na-2H]- 231.07512 150.3
[M]+ 210.09990 151.8
[M]- 210.10100 151.8
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.