CID 817168

6-bromo-1-methylpyridin-2(1h)-one

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CN1C(=O)C=CC=C1Br
InChI
InChI=1S/C6H6BrNO/c1-8-5(7)3-2-4-6(8)9/h2-4H,1H3
InChIKey
PUHNNXVBAOPJPW-UHFFFAOYSA-N
Compound name
6-bromo-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

186.96329 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 124.6
[M+Na]+ 209.95251 138.5
[M-H]- 185.95601 130.5
[M+NH4]+ 204.99711 147.2
[M+K]+ 225.92645 128.2
[M+H-H2O]+ 169.96055 125.1
[M+HCOO]- 231.96149 146.9
[M+CH3COO]- 245.97714 179.2
[M+Na-2H]- 207.93796 134.3
[M]+ 186.96274 144.1
[M]- 186.96384 144.1
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