CID 135408640

2,4-dimethyl-6-hydroxypyrimidine

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=CC(=O)NC(=N1)C
InChI
InChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h3H,1-2H3,(H,7,8,9)
InChIKey
UQFHLJKWYIJISA-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

921
Patents

124.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 121.7
[M+Na]+ 147.05288 132.3
[M-H]- 123.05638 122.2
[M+NH4]+ 142.09748 141.3
[M+K]+ 163.02682 129.9
[M+H-H2O]+ 107.06092 115.6
[M+HCOO]- 169.06186 143.6
[M+CH3COO]- 183.07751 168.4
[M+Na-2H]- 145.03833 129.7
[M]+ 124.06311 121.2
[M]- 124.06421 121.2
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