CID 119002489

2-bromo-6-methoxy-3-methylpyridine

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=C(N=C(C=C1)OC)Br
InChI
InChI=1S/C7H8BrNO/c1-5-3-4-6(10-2)9-7(5)8/h3-4H,1-2H3
InChIKey
FORSMPIAYBQWBN-UHFFFAOYSA-N
Compound name
2-bromo-6-methoxy-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 130.6
[M+Na]+ 223.968148 143.8
[M-H]- 199.971654 136.3
[M+NH4]+ 219.012753 152.7
[M+K]+ 239.942088 133.8
[M+H-H2O]+ 183.976190 130.8
[M+HCOO]- 245.977131 152.3
[M+CH3COO]- 259.992781 182.8
[M+Na-2H]- 221.953596 139.7
[M]+ 200.97838142 151.0
[M]- 200.97947858 151.0
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

No patent data available for this compound.