CID 867195

836-58-8

Structural Information

Molecular Formula
C13H18BrNO
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H18BrNO/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChIKey
PDUKJODPFIFHNK-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenoxy)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

283.0572 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06448 158.6
[M+Na]+ 306.04642 166.5
[M-H]- 282.04992 165.2
[M+NH4]+ 301.09102 176.5
[M+K]+ 322.02036 155.5
[M+H-H2O]+ 266.05446 157.1
[M+HCOO]- 328.05540 175.6
[M+CH3COO]- 342.07105 195.4
[M+Na-2H]- 304.03187 164.3
[M]+ 283.05665 174.2
[M]- 283.05775 174.2
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