CID 5362572

67860-38-2

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1=NC=CC(=N1)C(=O)C
InChI
InChI=1S/C7H8N2O/c1-5(10)7-3-4-8-6(2)9-7/h3-4H,1-2H3
InChIKey
ZADBZWAGUOHTAB-UHFFFAOYSA-N
Compound name
1-(2-methylpyrimidin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

78
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

literature stripe

Patent stripe

patents stripe