CID 466401

C-l-d4u

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

C1[C@H](C=C[C@H]1N2C=CC(=O)NC2=O)CO

InChI

InChI=1S/C10H12N2O3/c13-6-7-1-2-8(5-7)12-4-3-9(14)11-10(12)15/h1-4,7-8,13H,5-6H2,(H,11,14,15)/t7-,8+/m0/s1

InChIKey

ZHTKIUNJQDRMKA-JGVFFNPUSA-N

Compound name

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 208.0848 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.092076	142.3
[M+Na]+	231.074018	151.8
[M-H]-	207.077524	144.5
[M+NH4]+	226.118623	159.1
[M+K]+	247.047958	147.6
[M+H-H2O]+	191.082060	135.1
[M+HCOO]-	253.083001	162.7
[M+CH3COO]-	267.098651	178.7
[M+Na-2H]-	229.059466	145.8
[M]+	208.08425142	140.7
[M]-	208.08534858	140.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.