CID 212577

Pyridine, 2-(heptylamino)-

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CCCCCCCNC1=CC=CC=N1

InChI

InChI=1S/C12H20N2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h6,8-9,11H,2-5,7,10H2,1H3,(H,13,14)

InChIKey

IVCDYLIODNNGLA-UHFFFAOYSA-N

Compound name

N-heptylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 192.16264 Da
Monoisotopic Mass: 4.0
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]+	193.16992	145.8
[M+Na]+	215.15186	151.1
[M-H]-	191.15536	147.2
[M+NH4]+	210.19646	163.7
[M+K]+	231.12580	148.3
[M+H-H2O]+	175.15990	138.3
[M+HCOO]-	237.16084	169.2
[M+CH3COO]-	251.17649	187.9
[M+Na-2H]-	213.13731	152.9
[M]+	192.16209	146.6
[M]-	192.16319	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe