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

29
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 177.3
[M+Na]+ 314.23287 180.8
[M-H]- 290.23637 177.8
[M+NH4]+ 309.27747 190.8
[M+K]+ 330.20681 171.1
[M+H-H2O]+ 274.24091 171.6
[M+HCOO]- 336.24185 197.1
[M+CH3COO]- 350.25750 201.5
[M+Na-2H]- 312.21832 180.3
[M]+ 291.24310 178.4
[M]- 291.24420 178.4
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