CID 454267

1-[(2s,6r)-2-(hydroxymethyl)-3,6-dihydro-2h-pyran-6-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H12N2O4
SMILES
C1C=C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H12N2O4/c13-6-7-2-1-3-9(16-7)12-5-4-8(14)11-10(12)15/h1,3-5,7,9,13H,2,6H2,(H,11,14,15)/t7-,9+/m0/s1
InChIKey
MYLYOTFQUYHOPK-IONNQARKSA-N
Compound name
1-[(2S,6R)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.07971 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 146.5
[M+Na]+ 247.06893 155.1
[M-H]- 223.07243 148.9
[M+NH4]+ 242.11353 159.3
[M+K]+ 263.04287 152.3
[M+H-H2O]+ 207.07697 138.4
[M+HCOO]- 269.07791 163.8
[M+CH3COO]- 283.09356 181.7
[M+Na-2H]- 245.05438 152.2
[M]+ 224.07916 144.7
[M]- 224.08026 144.7
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.