CID 479229

Chembl305697

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC1=CN(C(=O)NC1=O)C[C@H]2C[C@H]2CO
InChI
InChI=1S/C10H14N2O3/c1-6-3-12(10(15)11-9(6)14)4-7-2-8(7)5-13/h3,7-8,13H,2,4-5H2,1H3,(H,11,14,15)/t7-,8+/m1/s1
InChIKey
KQIIZBXJRLUSSW-SFYZADRCSA-N
Compound name
1-[[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

210.10045 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 149.6
[M+Na]+ 233.08967 161.6
[M-H]- 209.09317 152.8
[M+NH4]+ 228.13427 160.5
[M+K]+ 249.06361 155.7
[M+H-H2O]+ 193.09771 142.4
[M+HCOO]- 255.09865 169.6
[M+CH3COO]- 269.11430 185.8
[M+Na-2H]- 231.07512 153.2
[M]+ 210.09990 152.7
[M]- 210.10100 152.7
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

No patent data available for this compound.