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]+ 141.065856 125.1
[M+Na]+ 163.047798 134.6
[M-H]- 139.051304 125.1
[M+NH4]+ 158.092403 143.6
[M+K]+ 179.021738 132.6
[M+H-H2O]+ 123.055840 118.4
[M+HCOO]- 185.056781 147.2
[M+CH3COO]- 199.072431 169.3
[M+Na-2H]- 161.033246 133.8
[M]+ 140.05803142 125.6
[M]- 140.05912858 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

literature stripe

Patent stripe

No patent data available for this compound.