CID 205299

1-(p-tert-butyl-beta-(octyloxy)phenethyl)pyridinium bromide

Structural Information

Molecular Formula
C25H38NO
SMILES
CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C25H38NO/c1-5-6-7-8-9-13-20-27-24(21-26-18-11-10-12-19-26)22-14-16-23(17-15-22)25(2,3)4/h10-12,14-19,24H,5-9,13,20-21H2,1-4H3/q+1
InChIKey
UIZWZTBNNPDFFW-UHFFFAOYSA-N
Compound name
1-[2-(4-tert-butylphenyl)-2-octoxyethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.29535 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.30263 196.7
[M+Na]+ 391.28457 211.5
[M+NH4]+ 386.32917 205.0
[M+K]+ 407.25851 202.7
[M-H]- 367.28807 202.1
[M+Na-2H]- 389.27002 205.1
[M]+ 368.29480 201.0
[M]- 368.29590 201.0
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.