CID 63769901

3-(2-hydroxyethyl)-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1=CN=CN(C1=O)CCO
InChI
InChI=1S/C6H8N2O2/c9-4-3-8-5-7-2-1-6(8)10/h1-2,5,9H,3-4H2
InChIKey
HFZYCRPBIIVEAW-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.05858 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 125.1
[M+Na]+ 163.04780 134.6
[M-H]- 139.05130 125.1
[M+NH4]+ 158.09240 143.6
[M+K]+ 179.02174 132.6
[M+H-H2O]+ 123.05584 118.4
[M+HCOO]- 185.05678 147.2
[M+CH3COO]- 199.07243 169.3
[M+Na-2H]- 161.03325 133.8
[M]+ 140.05803 125.6
[M]- 140.05913 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.