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]+ 324.232176 181.9
[M+Na]+ 346.214118 184.0
[M-H]- 322.217624 185.5
[M+NH4]+ 341.258723 194.7
[M+K]+ 362.188058 178.2
[M+H-H2O]+ 306.222160 171.7
[M+HCOO]- 368.223101 196.9
[M+CH3COO]- 382.238751 210.4
[M+Na-2H]- 344.199566 183.7
[M]+ 323.22435142 178.8
[M]- 323.22544858 178.8
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.