CID 75337

Cetyl-beta-picolinium bromide

Structural Information

Molecular Formula
C22H40N
SMILES
CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C
InChI
InChI=1S/C22H40N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-18-22(2)21-23/h17-18,20-21H,3-16,19H2,1-2H3/q+1
InChIKey
YJXXHMRKZRKLNB-UHFFFAOYSA-N
Compound name
1-hexadecyl-3-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

318.31607 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.32335 185.9
[M+Na]+ 341.30529 199.6
[M+NH4]+ 336.34989 194.4
[M+K]+ 357.27923 189.3
[M-H]- 317.30879 189.9
[M+Na-2H]- 339.29074 191.7
[M]+ 318.31552 189.5
[M]- 318.31662 189.5
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

patents stripe