CID 390512

Nsc687952

Structural Information

Molecular Formula
C9H12N2O4
SMILES
C1CC(OC1CO)N2C(=O)C=CNC2=O
InChI
InChI=1S/C9H12N2O4/c12-5-6-1-2-8(15-6)11-7(13)3-4-10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,14)
InChIKey
WKLFUUCXLQJQRW-UHFFFAOYSA-N
Compound name
3-[5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07971 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 142.3
[M+Na]+ 235.06893 151.2
[M-H]- 211.07243 144.9
[M+NH4]+ 230.11353 157.5
[M+K]+ 251.04287 148.9
[M+H-H2O]+ 195.07697 135.2
[M+HCOO]- 257.07791 160.8
[M+CH3COO]- 271.09356 178.4
[M+Na-2H]- 233.05438 146.1
[M]+ 212.07916 141.0
[M]- 212.08026 141.0
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.