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]+ 141.06586 125.7
[M+Na]+ 163.04780 136.7
[M-H]- 139.05130 125.1
[M+NH4]+ 158.09240 144.1
[M+K]+ 179.02174 133.8
[M+H-H2O]+ 123.05584 119.9
[M+HCOO]- 185.05678 146.2
[M+CH3COO]- 199.07243 169.2
[M+Na-2H]- 161.03325 132.3
[M]+ 140.05803 125.1
[M]- 140.05913 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