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]+ 318.27913 184.0
[M+Na]+ 340.26107 184.0
[M-H]- 316.26457 186.2
[M+NH4]+ 335.30567 196.1
[M+K]+ 356.23501 179.8
[M+H-H2O]+ 300.26911 174.0
[M+HCOO]- 362.27005 199.5
[M+CH3COO]- 376.28570 209.4
[M+Na-2H]- 338.24652 183.9
[M]+ 317.27130 182.4
[M]- 317.27240 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.