CID 212055

23826-81-5

Structural Information

Molecular Formula

C₁₇H₃₁N₃

SMILES

CCCCCCCCN(CCN(C)C)C1=CC=CC=N1

InChI

InChI=1S/C17H31N3/c1-4-5-6-7-8-11-14-20(16-15-19(2)3)17-12-9-10-13-18-17/h9-10,12-13H,4-8,11,14-16H2,1-3H3

InChIKey

KXKWYJXQCCEVEB-UHFFFAOYSA-N

Compound name

N,N-dimethyl-N'-octyl-N'-pyridin-2-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 277.2518 Da
Monoisotopic Mass: 4.8
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]+	278.25908	173.5
[M+Na]+	300.24102	176.0
[M-H]-	276.24452	176.8
[M+NH4]+	295.28562	188.8
[M+K]+	316.21496	174.6
[M+H-H2O]+	260.24906	163.9
[M+HCOO]-	322.25000	197.0
[M+CH3COO]-	336.26565	214.8
[M+Na-2H]-	298.22647	176.5
[M]+	277.25125	177.8
[M]-	277.25235	177.8

Literature stripe

literature stripe

Patent stripe

patents stripe