CID 205297

1-(p-cyclohexyl-beta-(pentyloxy)phenethyl)pyridinium bromide

Structural Information

Molecular Formula
C24H34NO
SMILES
CCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C24H34NO/c1-2-3-10-19-26-24(20-25-17-8-5-9-18-25)23-15-13-22(14-16-23)21-11-6-4-7-12-21/h5,8-9,13-18,21,24H,2-4,6-7,10-12,19-20H2,1H3/q+1
InChIKey
GDKMZWYYJLJLNV-UHFFFAOYSA-N
Compound name
1-[2-(4-cyclohexylphenyl)-2-pentoxyethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.26404 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.27132 195.1
[M+Na]+ 375.25326 195.6
[M-H]- 351.25676 200.9
[M+NH4]+ 370.29786 205.0
[M+K]+ 391.22720 184.6
[M+H-H2O]+ 335.26130 186.4
[M+HCOO]- 397.26224 210.3
[M+CH3COO]- 411.27789 208.8
[M+Na-2H]- 373.23871 196.9
[M]+ 352.26349 190.7
[M]- 352.26459 190.7
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.