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]+ 270.04881 153.8
[M+Na]+ 292.03075 163.0
[M-H]- 268.03425 161.0
[M+NH4]+ 287.07535 172.6
[M+K]+ 308.00469 152.3
[M+H-H2O]+ 252.03879 152.7
[M+HCOO]- 314.03973 171.2
[M+CH3COO]- 328.05538 193.7
[M+Na-2H]- 290.01620 159.5
[M]+ 269.04098 169.5
[M]- 269.04208 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.