CID 819937

5-bromo-2-hydroxy-4-methylpyridine

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CC1=CC(=O)NC=C1Br
InChI
InChI=1S/C6H6BrNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9)
InChIKey
BYGNXKDNIFHZHQ-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

350
Patents

186.96329 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.970566 125.9
[M+Na]+ 209.952508 139.4
[M-H]- 185.956014 130.5
[M+NH4]+ 204.997113 147.8
[M+K]+ 225.926448 128.1
[M+H-H2O]+ 169.960550 126.6
[M+HCOO]- 231.961491 146.7
[M+CH3COO]- 245.977141 176.7
[M+Na-2H]- 207.937956 135.0
[M]+ 186.96274142 143.6
[M]- 186.96383858 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

literature stripe

Patent stripe

patents stripe