CID 6450909

N,n'-diisopropyl-2-butene-1,4-diamine

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CC(C)NC/C=C/CNC(C)C

InChI

InChI=1S/C10H22N2/c1-9(2)11-7-5-6-8-12-10(3)4/h5-6,9-12H,7-8H2,1-4H3/b6-5+

InChIKey

XUHWXAYJBQMEAF-AATRIKPKSA-N

Compound name

(E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 170.1783 Da
Monoisotopic Mass: 1.3
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]+	171.18558	145.6
[M+Na]+	193.16752	149.3
[M-H]-	169.17102	145.3
[M+NH4]+	188.21212	165.5
[M+K]+	209.14146	148.3
[M+H-H2O]+	153.17556	139.8
[M+HCOO]-	215.17650	168.3
[M+CH3COO]-	229.19215	189.1
[M+Na-2H]-	191.15297	148.3
[M]+	170.17775	144.6
[M]-	170.17885	144.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.