CID 817164

5-bromo-2-methylpyridin-1-ium-1-olate

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CC1=[N+](C=C(C=C1)Br)[O-]
InChI
InChI=1S/C6H6BrNO/c1-5-2-3-6(7)4-8(5)9/h2-4H,1H3
InChIKey
NEEHOROWKICRQK-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

186.96329 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 129.7
[M+Na]+ 209.95251 143.0
[M-H]- 185.95601 134.5
[M+NH4]+ 204.99711 151.5
[M+K]+ 225.92645 128.3
[M+H-H2O]+ 169.96055 135.0
[M+HCOO]- 231.96149 151.1
[M+CH3COO]- 245.97714 171.0
[M+Na-2H]- 207.93796 140.3
[M]+ 186.96274 147.2
[M]- 186.96384 147.2
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