CID 209416

1-(beta-(hexyloxy)phenethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C19H31NO
SMILES
CCCCCCOC(CN1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C19H31NO/c1-2-3-4-11-16-21-19(18-12-7-5-8-13-18)17-20-14-9-6-10-15-20/h5,7-8,12-13,19H,2-4,6,9-11,14-17H2,1H3
InChIKey
RBBAVAKLSNVSNI-UHFFFAOYSA-N
Compound name
1-(2-hexoxy-2-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.24057 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 175.1
[M+Na]+ 312.22979 176.0
[M-H]- 288.23329 177.7
[M+NH4]+ 307.27439 188.4
[M+K]+ 328.20373 172.3
[M+H-H2O]+ 272.23783 165.5
[M+HCOO]- 334.23877 191.3
[M+CH3COO]- 348.25442 203.5
[M+Na-2H]- 310.21524 176.1
[M]+ 289.24002 172.8
[M]- 289.24112 172.8
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.