CID 114309

4,7,11-triazatetradecane-1,14-diamine

Structural Information

Molecular Formula

C₁₁H₂₉N₅

SMILES

C(CN)CNCCCNCCNCCCN

InChI

InChI=1S/C11H29N5/c12-4-1-6-14-8-3-9-16-11-10-15-7-2-5-13/h14-16H,1-13H2

InChIKey

BTJCQNIQJYIKBU-UHFFFAOYSA-N

Compound name

N'-[3-[2-(3-aminopropylamino)ethylamino]propyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 40
Patents: 231.2423 Da
Monoisotopic Mass: -1.9
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]+	232.249576	153.7
[M+Na]+	254.231518	154.5
[M-H]-	230.235024	151.7
[M+NH4]+	249.276123	169.4
[M+K]+	270.205458	152.5
[M+H-H2O]+	214.239560	145.6
[M+HCOO]-	276.240501	179.5
[M+CH3COO]-	290.256151	206.4
[M+Na-2H]-	252.216966	157.6
[M]+	231.24175142	150.8
[M]-	231.24284858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe