CID 209418

19831-41-5

Structural Information

Molecular Formula
C21H35NO
SMILES
CCCCCCCCOC(CN1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C21H35NO/c1-2-3-4-5-6-13-18-23-21(20-14-9-7-10-15-20)19-22-16-11-8-12-17-22/h7,9-10,14-15,21H,2-6,8,11-13,16-19H2,1H3
InChIKey
SDANJJMHFVLBDU-UHFFFAOYSA-N
Compound name
1-(2-octoxy-2-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.27185 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.279126 184.0
[M+Na]+ 340.261068 184.0
[M-H]- 316.264574 186.2
[M+NH4]+ 335.305673 196.1
[M+K]+ 356.235008 179.8
[M+H-H2O]+ 300.269110 174.0
[M+HCOO]- 362.270051 199.5
[M+CH3COO]- 376.285701 209.4
[M+Na-2H]- 338.246516 183.9
[M]+ 317.27130142 182.4
[M]- 317.27239858 182.4
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.