CID 2775866

4,6-dihydroxy-5-ethylpyrimidine

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CCC1=C(N=CNC1=O)O
InChI
InChI=1S/C6H8N2O2/c1-2-4-5(9)7-3-8-6(4)10/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKey
PYZFNSYJSDPLHL-UHFFFAOYSA-N
Compound name
5-ethyl-4-hydroxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

140.05858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 125.9
[M+Na]+ 163.04780 135.9
[M-H]- 139.05130 124.9
[M+NH4]+ 158.09240 144.0
[M+K]+ 179.02174 133.0
[M+H-H2O]+ 123.05584 119.8
[M+HCOO]- 185.05678 146.4
[M+CH3COO]- 199.07243 167.9
[M+Na-2H]- 161.03325 133.3
[M]+ 140.05803 124.9
[M]- 140.05913 124.9
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