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]+ 252.134276 157.6
[M+Na]+ 274.116218 163.5
[M-H]- 250.119724 158.2
[M+NH4]+ 269.160823 169.4
[M+K]+ 290.090158 160.2
[M+H-H2O]+ 234.124260 148.1
[M+HCOO]- 296.125201 172.7
[M+CH3COO]- 310.140851 189.9
[M+Na-2H]- 272.101666 160.6
[M]+ 251.12645142 154.2
[M]- 251.12754858 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.