CID 13463814

3-bromo-1,4-dimethylpyridin-2(1h)-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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

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