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]+ 201.98621 129.9
[M+Na]+ 223.96815 143.8
[M-H]- 199.97165 134.6
[M+NH4]+ 219.01275 151.6
[M+K]+ 239.94209 132.2
[M+H-H2O]+ 183.97619 130.5
[M+HCOO]- 245.97713 150.3
[M+CH3COO]- 259.99278 180.6
[M+Na-2H]- 221.95360 137.8
[M]+ 200.97838 148.2
[M]- 200.97948 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.