CID 11084399

5-bromo-1-methyl-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C6H10BrN
SMILES
CN1CCC=C(C1)Br
InChI
InChI=1S/C6H10BrN/c1-8-4-2-3-6(7)5-8/h3H,2,4-5H2,1H3
InChIKey
AEZMVSLMBQQJOA-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

174.99966 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.006936 128.5
[M+Na]+ 197.988878 139.4
[M-H]- 173.992384 133.4
[M+NH4]+ 193.033483 151.2
[M+K]+ 213.962818 129.6
[M+H-H2O]+ 157.996920 128.9
[M+HCOO]- 219.997861 147.6
[M+CH3COO]- 234.013511 177.8
[M+Na-2H]- 195.974326 136.8
[M]+ 174.99911142 144.2
[M]- 175.00020858 144.2
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