CID 110031

11-cyano-3,6,9-triazaundecan-1-amine

Structural Information

Molecular Formula

C₉H₂₁N₅

SMILES

C(CNCCNCCNCCN)C#N

InChI

InChI=1S/C9H21N5/c10-2-1-4-12-6-8-14-9-7-13-5-3-11/h12-14H,1,3-9,11H2

InChIKey

IHUXKNVDSOLKCH-UHFFFAOYSA-N

Compound name

3-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]propanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 15
Patents: 199.1797 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]+	200.186976	143.3
[M+Na]+	222.168918	147.4
[M-H]-	198.172424	142.5
[M+NH4]+	217.213523	158.9
[M+K]+	238.142858	146.9
[M+H-H2O]+	182.176960	129.8
[M+HCOO]-	244.177901	165.3
[M+CH3COO]-	258.193551	207.6
[M+Na-2H]-	220.154366	148.4
[M]+	199.17915142	136.5
[M]-	199.18024858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe