CID 6446359

1-(decyloxycarbonylmethyl)-1-(3-(p-methylbenzyl)-2-butenyl)piperidinium chloride

Structural Information

Molecular Formula
C29H48NO2
SMILES
CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=C(C=C2)C
InChI
InChI=1S/C29H48NO2/c1-4-5-6-7-8-9-10-14-23-32-29(31)25-30(20-12-11-13-21-30)22-19-27(3)24-28-17-15-26(2)16-18-28/h15-19H,4-14,20-25H2,1-3H3/q+1/b27-19+
InChIKey
GEBQBMJWSVIEPC-ZXVVBBHZSA-N
Compound name
decyl 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.3685 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.37578 218.9
[M+Na]+ 465.35772 229.9
[M+NH4]+ 460.40232 226.8
[M+K]+ 481.33166 218.7
[M-H]- 441.36122 222.9
[M+Na-2H]- 463.34317 224.1
[M]+ 442.36795 221.9
[M]- 442.36905 221.9
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.