CID 210522

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

Structural Information

Molecular Formula
C25H36NO
SMILES
CCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C25H36NO/c1-2-3-4-11-20-27-25(21-26-18-9-6-10-19-26)24-16-14-23(15-17-24)22-12-7-5-8-13-22/h6,9-10,14-19,22,25H,2-5,7-8,11-13,20-21H2,1H3/q+1
InChIKey
OIWACJLDIGKAOC-UHFFFAOYSA-N
Compound name
1-[2-(4-cyclohexylphenyl)-2-hexoxyethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.2797 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.28698 199.6
[M+Na]+ 389.26892 199.6
[M-H]- 365.27242 205.2
[M+NH4]+ 384.31352 209.0
[M+K]+ 405.24286 188.5
[M+H-H2O]+ 349.27696 190.7
[M+HCOO]- 411.27790 214.4
[M+CH3COO]- 425.29355 211.8
[M+Na-2H]- 387.25437 200.9
[M]+ 366.27915 195.6
[M]- 366.28025 195.6
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.