CID 209414

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

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCCCOC(CN1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C18H29NO/c1-2-3-10-15-20-18(17-11-6-4-7-12-17)16-19-13-8-5-9-14-19/h4,6-7,11-12,18H,2-3,5,8-10,13-16H2,1H3
InChIKey
LRQUCOHWVJTOJZ-UHFFFAOYSA-N
Compound name
1-(2-pentoxy-2-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 170.6
[M+Na]+ 298.214118 171.9
[M-H]- 274.217624 173.5
[M+NH4]+ 293.258723 184.5
[M+K]+ 314.188058 168.5
[M+H-H2O]+ 258.222160 161.2
[M+HCOO]- 320.223101 187.1
[M+CH3COO]- 334.238751 200.5
[M+Na-2H]- 296.199566 172.2
[M]+ 275.22435142 168.0
[M]- 275.22544858 168.0
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.