CID 13024027

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

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CN1C=C(C=CC1=O)Br
InChI
InChI=1S/C6H6BrNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChIKey
HHVFVHIUOMMWRN-UHFFFAOYSA-N
Compound name
5-bromo-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

797
Patents

186.96329 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe