CID 22280405

2-(bromomethyl)-4,6-dimethylpyridine

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=CC(=NC(=C1)CBr)C
InChI
InChI=1S/C8H10BrN/c1-6-3-7(2)10-8(4-6)5-9/h3-4H,5H2,1-2H3
InChIKey
JTBPXUPRFVPPTM-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4,6-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

198.99966 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 132.3
[M+Na]+ 221.98888 145.2
[M-H]- 197.99238 137.9
[M+NH4]+ 217.03348 154.6
[M+K]+ 237.96282 134.5
[M+H-H2O]+ 181.99692 132.6
[M+HCOO]- 243.99786 153.5
[M+CH3COO]- 258.01351 183.8
[M+Na-2H]- 219.97433 140.9
[M]+ 198.99911 151.8
[M]- 199.00021 151.8
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