CID 91947

55933-85-2

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC1=NC(=NC=C1C(=O)C)C
InChI
InChI=1S/C8H10N2O/c1-5-8(6(2)11)4-9-7(3)10-5/h4H,1-3H3
InChIKey
ULFYOIKCNJOCFW-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylpyrimidin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

150.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.7
[M+Na]+ 173.06854 144.5
[M+NH4]+ 168.11314 138.5
[M+K]+ 189.04248 138.7
[M-H]- 149.07204 131.6
[M+Na-2H]- 171.05399 137.5
[M]+ 150.07877 132.9
[M]- 150.07987 132.9
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