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	148.0
[M+Na]+	223.18932	150.4
[M-H]-	199.19282	146.2
[M+NH4]+	218.23392	165.3
[M+K]+	239.16326	147.9
[M+H-H2O]+	183.19736	140.8
[M+HCOO]-	245.19830	173.3
[M+CH3COO]-	259.21395	196.5
[M+Na-2H]-	221.17477	151.9
[M]+	200.19955	144.7
[M]-	200.20065	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe