CID 9508

108-79-2

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

6
References

871
Patents

124.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.7
[M+Na]+ 147.052878 132.3
[M-H]- 123.056384 122.2
[M+NH4]+ 142.097483 141.3
[M+K]+ 163.026818 129.9
[M+H-H2O]+ 107.060920 115.6
[M+HCOO]- 169.061861 143.6
[M+CH3COO]- 183.077511 168.4
[M+Na-2H]- 145.038326 129.7
[M]+ 124.06311142 121.2
[M]- 124.06420858 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