CID 2734419

3-bromo-2-hydroxy-6-picoline

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CC1=CC=C(C(=O)N1)Br
InChI
InChI=1S/C6H6BrNO/c1-4-2-3-5(7)6(9)8-4/h2-3H,1H3,(H,8,9)
InChIKey
NYYSVYAQWWOZFG-UHFFFAOYSA-N
Compound name
3-bromo-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

186.96329 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe