CID 4357340

86018-07-7

Structural Information

Molecular Formula

C₁₅H₃₅N₃

SMILES

CNCCCCCCN(C)CCCCCCNC

InChI

InChI=1S/C15H35N3/c1-16-12-8-4-6-10-14-18(3)15-11-7-5-9-13-17-2/h16-17H,4-15H2,1-3H3

InChIKey

XFKPZJBVIVCMKS-UHFFFAOYSA-N

Compound name

N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 257.2831 Da
Monoisotopic Mass: 2.3
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]+	258.29038	171.0
[M+Na]+	280.27232	172.0
[M-H]-	256.27582	170.8
[M+NH4]+	275.31692	187.8
[M+K]+	296.24626	170.8
[M+H-H2O]+	240.28036	163.1
[M+HCOO]-	302.28130	195.3
[M+CH3COO]-	316.29695	212.6
[M+Na-2H]-	278.25777	173.1
[M]+	257.28255	174.5
[M]-	257.28365	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe