CID 45080082

2,4-dimethylpyrimidin-5-ol

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=NC(=NC=C1O)C
InChI
InChI=1S/C6H8N2O/c1-4-6(9)3-7-5(2)8-4/h3,9H,1-2H3
InChIKey
NJRAXBYJSOFRQV-UHFFFAOYSA-N
Compound name
2,4-dimethylpyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

124.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 122.6
[M+Na]+ 147.052878 132.9
[M-H]- 123.056384 123.1
[M+NH4]+ 142.097483 142.2
[M+K]+ 163.026818 131.1
[M+H-H2O]+ 107.060920 116.5
[M+HCOO]- 169.061861 144.3
[M+CH3COO]- 183.077511 169.2
[M+Na-2H]- 145.038326 130.7
[M]+ 124.06311142 122.9
[M]- 124.06420858 122.9
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