CID 12272664

5-bromo-1,3-dimethyl-2-pyridone

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=CN(C1=O)C)Br
InChI
InChI=1S/C7H8BrNO/c1-5-3-6(8)4-9(2)7(5)10/h3-4H,1-2H3
InChIKey
UEHHXNZKBMALIY-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dimethylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

200.97893 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 131.5
[M+Na]+ 223.96815 136.6
[M+NH4]+ 219.01275 136.6
[M+K]+ 239.94209 136.4
[M-H]- 199.97165 132.0
[M+Na-2H]- 221.95360 135.8
[M]+ 200.97838 131.2
[M]- 200.97948 131.2
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