CID 72213912

2-bromo-5-methoxy-3-methylpyridine

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=CN=C1Br)OC
InChI
InChI=1S/C7H8BrNO/c1-5-3-6(10-2)4-9-7(5)8/h3-4H,1-2H3
InChIKey
VRBAJWSAAQRQJO-UHFFFAOYSA-N
Compound name
2-bromo-5-methoxy-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

200.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 132.8
[M+Na]+ 223.96815 137.5
[M+NH4]+ 219.01275 138.1
[M+K]+ 239.94209 137.2
[M-H]- 199.97165 133.4
[M+Na-2H]- 221.95360 137.3
[M]+ 200.97838 132.5
[M]- 200.97948 132.5
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