CID 199874

Piperidine, 1-(2-(2-(1-naphthyl)-4-pentenyloxy)ethyl)-, oxalate

Structural Information

Molecular Formula
C22H29NO
SMILES
C=CCC(COCCN1CCCCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H29NO/c1-2-9-20(18-24-17-16-23-14-6-3-7-15-23)22-13-8-11-19-10-4-5-12-21(19)22/h2,4-5,8,10-13,20H,1,3,6-7,9,14-18H2
InChIKey
KNFMTAHWQVIUSC-UHFFFAOYSA-N
Compound name
1-[2-(2-naphthalen-1-ylpent-4-enoxy)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 182.9
[M+Na]+ 346.21412 195.9
[M+NH4]+ 341.25872 191.6
[M+K]+ 362.18806 185.9
[M-H]- 322.21762 187.7
[M+Na-2H]- 344.19957 189.7
[M]+ 323.22435 186.2
[M]- 323.22545 186.2
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.