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]+ 276.23218 170.6
[M+Na]+ 298.21412 171.9
[M-H]- 274.21762 173.5
[M+NH4]+ 293.25872 184.5
[M+K]+ 314.18806 168.5
[M+H-H2O]+ 258.22216 161.2
[M+HCOO]- 320.22310 187.1
[M+CH3COO]- 334.23875 200.5
[M+Na-2H]- 296.19957 172.2
[M]+ 275.22435 168.0
[M]- 275.22545 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.