CID 14122870

Schembl6755328

Structural Information

Molecular Formula

C₁₃H₃₁N₃

SMILES

CN(CCCCCCN)CCCCCCN

InChI

InChI=1S/C13H31N3/c1-16(12-8-4-2-6-10-14)13-9-5-3-7-11-15/h2-15H2,1H3

InChIKey

RAHUUZHRZVFSES-UHFFFAOYSA-N

Compound name

N'-(6-aminohexyl)-N'-methylhexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 229.2518 Da
Monoisotopic Mass: 1.2
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]+	230.25908	162.2
[M+Na]+	252.24102	164.1
[M-H]-	228.24452	161.4
[M+NH4]+	247.28562	179.5
[M+K]+	268.21496	162.6
[M+H-H2O]+	212.24906	154.8
[M+HCOO]-	274.25000	185.9
[M+CH3COO]-	288.26565	205.3
[M+Na-2H]-	250.22647	163.3
[M]+	229.25125	162.9
[M]-	229.25235	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe