CID 25136843

3-bromo-2,4,6-trimethylpyridine

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=CC(=NC(=C1Br)C)C
InChI
InChI=1S/C8H10BrN/c1-5-4-6(2)10-7(3)8(5)9/h4H,1-3H3
InChIKey
HDIJRNSEQXUVPU-UHFFFAOYSA-N
Compound name
3-bromo-2,4,6-trimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

198.99966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 131.5
[M+Na]+ 221.988878 145.3
[M-H]- 197.992384 137.4
[M+NH4]+ 217.033483 154.1
[M+K]+ 237.962818 134.6
[M+H-H2O]+ 181.996920 132.0
[M+HCOO]- 243.997861 152.7
[M+CH3COO]- 258.013511 184.8
[M+Na-2H]- 219.974326 139.5
[M]+ 198.99911142 151.3
[M]- 199.00020858 151.3
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