CID 459511

78114-56-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCCCCCNC(=O)C1=CN=CC=C1

InChI

InChI=1S/C12H18N2O/c1-2-3-4-5-9-14-12(15)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3,(H,14,15)

InChIKey

QNWFROSVYQTOPU-UHFFFAOYSA-N

Compound name

N-hexylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 206.1419 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.14918	148.8
[M+Na]+	229.13112	154.1
[M-H]-	205.13462	150.3
[M+NH4]+	224.17572	166.0
[M+K]+	245.10506	151.7
[M+H-H2O]+	189.13916	141.2
[M+HCOO]-	251.14010	171.6
[M+CH3COO]-	265.15575	189.1
[M+Na-2H]-	227.11657	154.6
[M]+	206.14135	149.6
[M]-	206.14245	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe