CID 5869833

N,n'-bis(3-aminopropyl)-2-butene-1,4-diamine

Structural Information

Molecular Formula

C₁₀H₂₄N₄

SMILES

C(CN)CNC/C=C/CNCCCN

InChI

InChI=1S/C10H24N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-2,13-14H,3-12H2/b2-1+

InChIKey

QIMQRAOUTRFLRN-OWOJBTEDSA-N

Compound name

(E)-N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 27
Patents: 200.2001 Da
Monoisotopic Mass: -1.5
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]+	201.20738	149.2
[M+Na]+	223.18932	154.1
[M+NH4]+	218.23392	155.1
[M+K]+	239.16326	148.4
[M-H]-	199.19282	149.8
[M+Na-2H]-	221.17477	150.9
[M]+	200.19955	149.3
[M]-	200.20065	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe