CID 3017535

N-octylpyridin-4-amine

Structural Information

Molecular Formula
C13H22N2
SMILES
CCCCCCCCNC1=CC=NC=C1
InChI
InChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
InChIKey
RHDWCSIBVZKRRU-UHFFFAOYSA-N
Compound name
N-octylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

81
Patents

206.1783 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.185576 150.4
[M+Na]+ 229.167518 155.2
[M-H]- 205.171024 151.5
[M+NH4]+ 224.212123 167.7
[M+K]+ 245.141458 152.1
[M+H-H2O]+ 189.175560 142.6
[M+HCOO]- 251.176501 173.3
[M+CH3COO]- 265.192151 191.0
[M+Na-2H]- 227.152966 156.9
[M]+ 206.17775142 151.5
[M]- 206.17884858 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe