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

14
Patents

174.99966 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00694 128.5
[M+Na]+ 197.98888 139.4
[M-H]- 173.99238 133.4
[M+NH4]+ 193.03348 151.2
[M+K]+ 213.96282 129.6
[M+H-H2O]+ 157.99692 128.9
[M+HCOO]- 219.99786 147.6
[M+CH3COO]- 234.01351 177.8
[M+Na-2H]- 195.97433 136.8
[M]+ 174.99911 144.2
[M]- 175.00021 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