CID 4166253

711-66-0

Structural Information

Molecular Formula
C8H12N2O4
SMILES
C1=CN(C(=O)N(C1=O)CCO)CCO
InChI
InChI=1S/C8H12N2O4/c11-5-3-9-2-1-7(13)10(4-6-12)8(9)14/h1-2,11-12H,3-6H2
InChIKey
AKEISPWDGKTJAB-UHFFFAOYSA-N
Compound name
1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.07971 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.086986 139.3
[M+Na]+ 223.068928 149.4
[M-H]- 199.072434 138.4
[M+NH4]+ 218.113533 155.0
[M+K]+ 239.042868 146.5
[M+H-H2O]+ 183.076970 132.6
[M+HCOO]- 245.077911 159.8
[M+CH3COO]- 259.093561 178.8
[M+Na-2H]- 221.054376 144.9
[M]+ 200.07916142 141.7
[M]- 200.08025858 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