CID 200563

2255-01-8

Structural Information

Molecular Formula
C15H25N2O
SMILES
CCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C15H24N2O/c1-2-3-4-5-6-7-8-11-17-12-9-10-14(13-17)15(16)18/h9-10,12-13H,2-8,11H2,1H3,(H-,16,18)/p+1
InChIKey
HTNLHKMRPSLNJI-UHFFFAOYSA-O
Compound name
1-nonylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.19669 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.203966 163.5
[M+Na]+ 272.185908 168.3
[M-H]- 248.189414 164.6
[M+NH4]+ 267.230513 178.7
[M+K]+ 288.159848 159.3
[M+H-H2O]+ 232.193950 158.4
[M+HCOO]- 294.194891 184.3
[M+CH3COO]- 308.210541 192.5
[M+Na-2H]- 270.171356 168.1
[M]+ 249.19614142 163.5
[M]- 249.19723858 163.5
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

No patent data available for this compound.