CID 86175000

N(4)-aminopropylspermine(5+)

Structural Information

Molecular Formula

C₁₃H₃₃N₅

SMILES

C(CCN(CCCN)CCCN)CNCCCN

InChI

InChI=1S/C13H33N5/c14-6-3-10-17-9-1-2-11-18(12-4-7-15)13-5-8-16/h17H,1-16H2

InChIKey

UAGCUQRCYLGHHF-UHFFFAOYSA-N

Compound name

N,N',N'-tris(3-aminopropyl)butane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 259.2736 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]+	260.28088	164.8
[M+Na]+	282.26282	165.0
[M-H]-	258.26632	163.4
[M+NH4]+	277.30742	179.8
[M+K]+	298.23676	163.6
[M+H-H2O]+	242.27086	156.2
[M+HCOO]-	304.27180	189.9
[M+CH3COO]-	318.28745	215.1
[M+Na-2H]-	280.24827	165.8
[M]+	259.27305	162.9
[M]-	259.27415	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe