CID 130114357

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

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=C(C(=NC=C1O)C)Br
InChI
InChI=1S/C7H8BrNO/c1-4-6(10)3-9-5(2)7(4)8/h3,10H,1-2H3
InChIKey
PRGXFYISKHVLOG-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dimethylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97893 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 131.2
[M+Na]+ 223.968148 144.8
[M-H]- 199.971654 135.9
[M+NH4]+ 219.012753 152.9
[M+K]+ 239.942088 133.8
[M+H-H2O]+ 183.976190 131.7
[M+HCOO]- 245.977131 151.4
[M+CH3COO]- 259.992781 181.4
[M+Na-2H]- 221.953596 139.0
[M]+ 200.97838142 150.2
[M]- 200.97947858 150.2
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.