CID 8924

Bis(hexamethylene)triamine

Structural Information

Molecular Formula

C₁₂H₂₉N₃

SMILES

C(CCCNCCCCCCN)CCN

InChI

InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2

InChIKey

MRNZSTMRDWRNNR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 17175
Patents: 215.23615 Da
Monoisotopic Mass: 0.8
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]+	216.24343	155.4
[M+Na]+	238.22537	161.1
[M+NH4]+	233.26997	161.8
[M+K]+	254.19931	154.6
[M-H]-	214.22887	156.0
[M+Na-2H]-	236.21082	157.0
[M]+	215.23560	155.8
[M]-	215.23670	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe