CID 164949

3-carbamoyl-1-hexylpyridinium chloride

Structural Information

Molecular Formula
C12H19N2O
SMILES
CCCCCC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C12H18N2O/c1-2-3-4-5-8-14-9-6-7-11(10-14)12(13)15/h6-7,9-10H,2-5,8H2,1H3,(H-,13,15)/p+1
InChIKey
PVMWZBOSCFWICX-UHFFFAOYSA-O
Compound name
1-hexylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

207.14973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.15701 149.5
[M+Na]+ 230.13895 155.7
[M-H]- 206.14245 151.2
[M+NH4]+ 225.18355 166.4
[M+K]+ 246.11289 147.4
[M+H-H2O]+ 190.14699 145.0
[M+HCOO]- 252.14793 171.3
[M+CH3COO]- 266.16358 183.4
[M+Na-2H]- 228.12440 155.7
[M]+ 207.14918 148.4
[M]- 207.15028 148.4
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

No patent data available for this compound.