CID 205305

1-(p-cyclopentyl-beta-(octyloxy)phenethyl)pyridinium bromide

Structural Information

Molecular Formula
C26H38NO
SMILES
CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCC3
InChI
InChI=1S/C26H38NO/c1-2-3-4-5-6-12-21-28-26(22-27-19-10-7-11-20-27)25-17-15-24(16-18-25)23-13-8-9-14-23/h7,10-11,15-20,23,26H,2-6,8-9,12-14,21-22H2,1H3/q+1
InChIKey
HTGXNPYHDDYKOQ-UHFFFAOYSA-N
Compound name
1-[2-(4-cyclopentylphenyl)-2-octoxyethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.29535 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.30263 200.3
[M+Na]+ 403.28457 214.3
[M+NH4]+ 398.32917 209.4
[M+K]+ 419.25851 206.2
[M-H]- 379.28807 207.8
[M+Na-2H]- 401.27002 208.8
[M]+ 380.29480 204.8
[M]- 380.29590 204.8
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.