CID 3822076

(7-aminoheptyl)dimethylamine

Structural Information

Molecular Formula

C₉H₂₂N₂

SMILES

CN(C)CCCCCCCN

InChI

InChI=1S/C9H22N2/c1-11(2)9-7-5-3-4-6-8-10/h3-10H2,1-2H3

InChIKey

OXAUQAUWLUANLY-UHFFFAOYSA-N

Compound name

N',N'-dimethylheptane-1,7-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 250
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	139.4
[M+Na]+	181.16752	147.7
[M+NH4]+	176.21212	147.3
[M+K]+	197.14146	141.5
[M-H]-	157.17102	140.5
[M+Na-2H]-	179.15297	142.9
[M]+	158.17775	140.6
[M]-	158.17885	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe