CID 209420

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

Structural Information

Molecular Formula
C25H43NO
SMILES
CCCCCCCCCCCCOC(CN1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-17-22-27-25(24-18-13-11-14-19-24)23-26-20-15-12-16-21-26/h11,13-14,18-19,25H,2-10,12,15-17,20-23H2,1H3
InChIKey
HFIBNOYXGZZTHY-UHFFFAOYSA-N
Compound name
1-(2-dodecoxy-2-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.33447 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.34175 201.6
[M+Na]+ 396.32369 199.7
[M-H]- 372.32719 202.9
[M+NH4]+ 391.36829 211.3
[M+K]+ 412.29763 194.6
[M+H-H2O]+ 356.33173 190.7
[M+HCOO]- 418.33267 215.6
[M+CH3COO]- 432.34832 221.2
[M+Na-2H]- 394.30914 199.3
[M]+ 373.33392 201.3
[M]- 373.33502 201.3
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.