CID 1867590

Ethyl 4-hydroxy-2-(piperidin-1-yl)pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CCOC(=O)C1=CN=C(NC1=O)N2CCCCC2
InChI
InChI=1S/C12H17N3O3/c1-2-18-11(17)9-8-13-12(14-10(9)16)15-6-4-3-5-7-15/h8H,2-7H2,1H3,(H,13,14,16)
InChIKey
ZFXRWQJOGNFOMI-UHFFFAOYSA-N
Compound name
ethyl 6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

251.127 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 157.6
[M+Na]+ 274.11622 163.5
[M-H]- 250.11972 158.2
[M+NH4]+ 269.16082 169.4
[M+K]+ 290.09016 160.2
[M+H-H2O]+ 234.12426 148.1
[M+HCOO]- 296.12520 172.7
[M+CH3COO]- 310.14085 189.9
[M+Na-2H]- 272.10167 160.6
[M]+ 251.12645 154.2
[M]- 251.12755 154.2
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

No patent data available for this compound.