CID 285436

5-bromo-2-hydroxy-3-methylpyridine

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CC1=CC(=CNC1=O)Br
InChI
InChI=1S/C6H6BrNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)
InChIKey
HXPMRPRBABWPKL-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

186.96329 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 125.9
[M+Na]+ 209.95251 139.4
[M-H]- 185.95601 130.5
[M+NH4]+ 204.99711 147.8
[M+K]+ 225.92645 128.1
[M+H-H2O]+ 169.96055 126.6
[M+HCOO]- 231.96149 146.7
[M+CH3COO]- 245.97714 176.7
[M+Na-2H]- 207.93796 135.0
[M]+ 186.96274 143.6
[M]- 186.96384 143.6
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