CID 415162

Dodecylnicotinamide

Structural Information

Molecular Formula
C18H31N2O
SMILES
CCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-17(16-20)18(19)21/h12-13,15-16H,2-11,14H2,1H3,(H-,19,21)/p+1
InChIKey
PLLLKQPEFSRIPV-UHFFFAOYSA-O
Compound name
1-dodecylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

291.24365 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.25093 173.8
[M+Na]+ 314.23287 185.9
[M+NH4]+ 309.27747 181.3
[M+K]+ 330.20681 178.5
[M-H]- 290.23637 177.0
[M+Na-2H]- 312.21832 178.9
[M]+ 291.24310 176.6
[M]- 291.24420 176.6
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