CID 76629

1-octadecylpyridinium chloride

Structural Information

Molecular Formula
C23H42N
SMILES
CCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1
InChI
InChI=1S/C23H42N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22-23H,2-16,18,21H2,1H3/q+1
InChIKey
HIWVFNVUJDPDKS-UHFFFAOYSA-N
Compound name
1-octadecylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1428
Patents

332.33173 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.33901 190.8
[M+Na]+ 355.32095 203.8
[M+NH4]+ 350.36555 199.0
[M+K]+ 371.29489 193.0
[M-H]- 331.32445 194.6
[M+Na-2H]- 353.30640 196.4
[M]+ 332.33118 194.1
[M]- 332.33228 194.1
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.