CID 7718

Laurylpyridinium

Structural Information

Molecular Formula
C17H30N
SMILES
CCCCCCCCCCCC[N+]1=CC=CC=C1
InChI
InChI=1S/C17H30N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3/q+1
InChIKey
FFYRIXSGFSWFAQ-UHFFFAOYSA-N
Compound name
1-dodecylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

57
References

17668
Patents

248.23782 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.245096 167.1
[M+Na]+ 271.227038 171.1
[M-H]- 247.230544 167.9
[M+NH4]+ 266.271643 182.8
[M+K]+ 287.200978 161.7
[M+H-H2O]+ 231.235080 161.7
[M+HCOO]- 293.236021 187.3
[M+CH3COO]- 307.251671 192.0
[M+Na-2H]- 269.212486 173.1
[M]+ 248.23727142 169.2
[M]- 248.23836858 169.2
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