CID 46856292

Ethyl 2-(6-oxo-1,6-dihydropyrimidin-5-yl)acetate

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CCOC(=O)CC1=CN=CNC1=O
InChI
InChI=1S/C8H10N2O3/c1-2-13-7(11)3-6-4-9-5-10-8(6)12/h4-5H,2-3H2,1H3,(H,9,10,12)
InChIKey
LBOPQWUXCIRYIU-UHFFFAOYSA-N
Compound name
ethyl 2-(6-oxo-1H-pyrimidin-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

182.06914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 136.2
[M+Na]+ 205.058358 144.8
[M-H]- 181.061864 136.0
[M+NH4]+ 200.102963 152.8
[M+K]+ 221.032298 142.8
[M+H-H2O]+ 165.066400 129.1
[M+HCOO]- 227.067341 157.1
[M+CH3COO]- 241.082991 176.8
[M+Na-2H]- 203.043806 142.6
[M]+ 182.06859142 137.5
[M]- 182.06968858 137.5
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