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

66
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

literature stripe

Patent stripe

patents stripe