CID 20791724

863971-65-7

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CCN(CC)CC1=CC=CC(=N1)C

InChI

InChI=1S/C11H18N2/c1-4-13(5-2)9-11-8-6-7-10(3)12-11/h6-8H,4-5,9H2,1-3H3

InChIKey

KLYJUPGQIQTMNU-UHFFFAOYSA-N

Compound name

N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 178.147 Da
Monoisotopic Mass: 1.9
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]+	179.154276	141.2
[M+Na]+	201.136218	148.1
[M-H]-	177.139724	144.7
[M+NH4]+	196.180823	160.7
[M+K]+	217.110158	146.9
[M+H-H2O]+	161.144260	134.0
[M+HCOO]-	223.145201	165.4
[M+CH3COO]-	237.160851	189.5
[M+Na-2H]-	199.121666	147.4
[M]+	178.14645142	143.3
[M]-	178.14754858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe