CID 26635

2-ethyl-3-(n-methylamino)hexylamine

Structural Information

Molecular Formula

C₉H₂₂N₂

SMILES

CCCC(C(CC)CN)NC

InChI

InChI=1S/C9H22N2/c1-4-6-9(11-3)8(5-2)7-10/h8-9,11H,4-7,10H2,1-3H3

InChIKey

AZWUCUNMNBIVQG-UHFFFAOYSA-N

Compound name

2-ethyl-3-N-methylhexane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 158.1783 Da
Monoisotopic Mass: 1.3
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]+	159.18558	140.4
[M+Na]+	181.16752	147.7
[M+NH4]+	176.21212	147.8
[M+K]+	197.14146	142.7
[M-H]-	157.17102	140.8
[M+Na-2H]-	179.15297	142.8
[M]+	158.17775	141.1
[M]-	158.17885	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe