CID 8097

1,6-bis(dimethylamino)hexane

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CN(C)CCCCCCN(C)C

InChI

InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3

InChIKey

TXXWBTOATXBWDR-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetramethylhexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1396
References: 37583
Patents: 172.19395 Da
Monoisotopic Mass: 1.7
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]+	173.201226	145.9
[M+Na]+	195.183168	150.1
[M-H]-	171.186674	148.4
[M+NH4]+	190.227773	167.2
[M+K]+	211.157108	151.6
[M+H-H2O]+	155.191210	139.5
[M+HCOO]-	217.192151	171.4
[M+CH3COO]-	231.207801	196.2
[M+Na-2H]-	193.168616	149.6
[M]+	172.19340142	149.6
[M]-	172.19449858	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe