CID 53764584

2-bromo-5-methylpyridin-4-ol

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CC1=CNC(=CC1=O)Br
InChI
InChI=1S/C6H6BrNO/c1-4-3-8-6(7)2-5(4)9/h2-3H,1H3,(H,8,9)
InChIKey
DKIFSEXUUUZXSX-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.96329 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 128.5
[M+Na]+ 209.95251 132.9
[M+NH4]+ 204.99711 133.4
[M+K]+ 225.92645 133.0
[M-H]- 185.95601 128.5
[M+Na-2H]- 207.93796 132.6
[M]+ 186.96274 127.9
[M]- 186.96384 127.9
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

patents stripe