CID 3589113

3-bromo-2,6-dimethylpyridin-4-ol

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=O)C(=C(N1)C)Br
InChI
InChI=1S/C7H8BrNO/c1-4-3-6(10)7(8)5(2)9-4/h3H,1-2H3,(H,9,10)
InChIKey
SAROMKYVLYBIJQ-UHFFFAOYSA-N
Compound name
3-bromo-2,6-dimethyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 129.9
[M+Na]+ 223.968148 143.8
[M-H]- 199.971654 134.6
[M+NH4]+ 219.012753 151.6
[M+K]+ 239.942088 132.2
[M+H-H2O]+ 183.976190 130.5
[M+HCOO]- 245.977131 150.3
[M+CH3COO]- 259.992781 180.6
[M+Na-2H]- 221.953596 137.8
[M]+ 200.97838142 148.2
[M]- 200.97947858 148.2
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

No patent data available for this compound.