CID 13125506

87814-02-6

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=C(C(=NC(=O)N1)C)O
InChI
InChI=1S/C6H8N2O2/c1-3-5(9)4(2)8-6(10)7-3/h9H,1-2H3,(H,7,8,10)
InChIKey
SUWXIVHXWFFNRI-UHFFFAOYSA-N
Compound name
5-hydroxy-4,6-dimethyl-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

140.05858 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 125.7
[M+Na]+ 163.047798 136.7
[M-H]- 139.051304 125.1
[M+NH4]+ 158.092403 144.1
[M+K]+ 179.021738 133.8
[M+H-H2O]+ 123.055840 119.9
[M+HCOO]- 185.056781 146.2
[M+CH3COO]- 199.072431 169.2
[M+Na-2H]- 161.033246 132.3
[M]+ 140.05803142 125.1
[M]- 140.05912858 125.1
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

patents stripe