CID 172923

1-(4-methylpyrimidin-2-yl)ethan-1-one

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1=NC(=NC=C1)C(=O)C
InChI
InChI=1S/C7H8N2O/c1-5-3-4-8-7(9-5)6(2)10/h3-4H,1-2H3
InChIKey
BHRQWCUSOZOVOG-UHFFFAOYSA-N
Compound name
1-(4-methylpyrimidin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

136.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.4
[M+Na]+ 159.05288 139.9
[M+NH4]+ 154.09748 134.3
[M+K]+ 175.02682 134.2
[M-H]- 135.05638 127.3
[M+Na-2H]- 157.03833 133.7
[M]+ 136.06311 128.5
[M]- 136.06421 128.5
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