CID 2683

Cetylpyridinium

Structural Information

Molecular Formula
C21H38N
SMILES
CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1
InChI
InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1
InChIKey
NEUSVAOJNUQRTM-UHFFFAOYSA-N
Compound name
1-hexadecylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1553
References

145555
Patents

304.3004 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.307676 185.5
[M+Na]+ 327.289618 187.7
[M-H]- 303.293124 185.5
[M+NH4]+ 322.334223 198.9
[M+K]+ 343.263558 177.3
[M+H-H2O]+ 287.297660 179.3
[M+HCOO]- 349.298601 204.4
[M+CH3COO]- 363.314251 204.0
[M+Na-2H]- 325.275066 189.3
[M]+ 304.29985142 189.1
[M]- 304.30094858 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe