CID 57372341

4-bromo-2-methylpyridin-3-ol

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CC1=NC=CC(=C1O)Br
InChI
InChI=1S/C6H6BrNO/c1-4-6(9)5(7)2-3-8-4/h2-3,9H,1H3
InChIKey
JBGRGPFJPIZXIJ-UHFFFAOYSA-N
Compound name
4-bromo-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

186.96329 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 127.1
[M+Na]+ 209.95251 140.3
[M-H]- 185.95601 131.7
[M+NH4]+ 204.99711 149.1
[M+K]+ 225.92645 129.6
[M+H-H2O]+ 169.96055 127.7
[M+HCOO]- 231.96149 147.8
[M+CH3COO]- 245.97714 177.5
[M+Na-2H]- 207.93796 136.2
[M]+ 186.96274 145.5
[M]- 186.96384 145.5
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