CID 18545468

91347-99-8

Structural Information

Molecular Formula
C11H12BrN
SMILES
C1CNCC=C1C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H12BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
InChIKey
FDRGGAPHXGEHPI-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

237.0153 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02258 145.3
[M+Na]+ 260.00452 154.7
[M-H]- 236.00802 151.4
[M+NH4]+ 255.04912 164.5
[M+K]+ 275.97846 142.6
[M+H-H2O]+ 220.01256 144.8
[M+HCOO]- 282.01350 162.8
[M+CH3COO]- 296.02915 158.9
[M+Na-2H]- 257.98997 152.8
[M]+ 237.01475 158.6
[M]- 237.01585 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe