CID 72358

68724-11-8

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CC1=CN(C(=O)NC1=O)COCCO
InChI
InChI=1S/C8H12N2O4/c1-6-4-10(5-14-3-2-11)8(13)9-7(6)12/h4,11H,2-3,5H2,1H3,(H,9,12,13)
InChIKey
ATKOZYBRBNGECU-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

52
Patents

200.07971 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 139.3
[M+Na]+ 223.06893 149.4
[M-H]- 199.07243 138.4
[M+NH4]+ 218.11353 155.0
[M+K]+ 239.04287 146.5
[M+H-H2O]+ 183.07697 132.6
[M+HCOO]- 245.07791 159.8
[M+CH3COO]- 259.09356 178.8
[M+Na-2H]- 221.05438 144.9
[M]+ 200.07916 141.7
[M]- 200.08026 141.7
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.