CID 84712617

1-(2-bromo-4-methoxyphenyl)piperidine

Structural Information

Molecular Formula
C12H16BrNO
SMILES
COC1=CC(=C(C=C1)N2CCCCC2)Br
InChI
InChI=1S/C12H16BrNO/c1-15-10-5-6-12(11(13)9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKey
FFMFSVRJQBWMPA-UHFFFAOYSA-N
Compound name
1-(2-bromo-4-methoxyphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04153 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.048806 153.8
[M+Na]+ 292.030748 163.0
[M-H]- 268.034254 161.0
[M+NH4]+ 287.075353 172.6
[M+K]+ 308.004688 152.3
[M+H-H2O]+ 252.038790 152.7
[M+HCOO]- 314.039731 171.2
[M+CH3COO]- 328.055381 193.7
[M+Na-2H]- 290.016196 159.5
[M]+ 269.04098142 169.5
[M]- 269.04207858 169.5
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

No patent data available for this compound.